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3AX : Summary

Code

3AX

One-letter code

X

Molecule name

1H-pyrazol-5-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 1H-pyrazol-5-amine
OpenEye OEToolkits 1.7.6 1H-pyrazol-5-amine

Formula

C3 H5 N3

Formal charge

0

Molecular weight

83.092 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1ccc(N)n1
SMILES CACTVS 3.385 Nc1[nH]ncc1
SMILES OpenEye OEToolkits 1.7.6 c1cn[nH]c1N
Canonical SMILES CACTVS 3.385 Nc1[nH]ncc1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cn[nH]c1N

IUPAC InChI

InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)

IUPAC InChI key

JVVRJMXHNUAPHW-UHFFFAOYSA-N
3AX

wwPDB Information

Atom count

11 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-10-23

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned