3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile

C9H12N4 — CID 104539719

IUPAC3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1cccnc1N
InChIInChI=1S/C9H12N4/c1-13(7-3-5-10)8-4-2-6-12-9(8)11/h2,4,6H,3,7H2,1H3,(H2,11,12)
InChIKeyMNZACVBHCIWEHI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.01
Rot. Bonds3

About 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile

3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile (PubChem CID 104539719) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile
PubChem CID104539719
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1cccnc1N
InChIInChI=1S/C9H12N4/c1-13(7-3-5-10)8-4-2-6-12-9(8)11/h2,4,6H,3,7H2,1H3,(H2,11,12)
InChIKeyMNZACVBHCIWEHI-UHFFFAOYSA-N
XLogP1.01
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866
2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide
CID 65427998
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
3-N,3-N-diethylpyridine-2,3-diamine
CID 54572211
3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
CID 104540064
3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine
CID 104539955
3-(4-amino-2-iodo-N-methylanilino)propanenitrile
CID 66094757
5-amino-2-[2-cyanoethyl(methyl)amino]benzonitrile
CID 61283805
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 104540410
2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 104540016
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile?
The IUPAC name of 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile (CID 104539719) is 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile is CN(CCC#N)c1cccnc1N.
What is the InChIKey of 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile?
The InChIKey is MNZACVBHCIWEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-13(7-3-5-10)8-4-2-6-12-9(8)11/h2,4,6H,3,7H2,1H3,(H2,11,12).
What are the key properties of 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile?
3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile has a molecular weight of 176.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile is sourced from PubChem (CID 104539719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).