Chemical Components in the PDB

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H05 : Summary

Code

H05

One-letter code

X

Molecule name

5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
OpenEye OEToolkits 1.7.6 5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

Formula

C12 H13 N5

Formal charge

0

Molecular weight

227.265 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1c(n3nc(nc3c2c1cccc2)N)CCC
SMILES CACTVS 3.385 CCCc1nc2ccccc2c3nc(N)nn13
SMILES OpenEye OEToolkits 1.7.6 CCCc1nc2ccccc2c3n1nc(n3)N
Canonical SMILES CACTVS 3.385 CCCc1nc2ccccc2c3nc(N)nn13
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCc1nc2ccccc2c3n1nc(n3)N

IUPAC InChI

InChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16)

IUPAC InChI key

WFRPCMTYTZUBRF-UHFFFAOYSA-N
H05

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-04-02

Last modified at

2014-07-03

Status

Released

Obsoleted

Not Assigned