2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile

C9H13N5 — CID 130892168

IUPAC2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile
SMILESN#CCNCC1CCc2nncn2C1
InChIInChI=1S/C9H13N5/c10-3-4-11-5-8-1-2-9-13-12-7-14(9)6-8/h7-8,11H,1-2,4-6H2
InChIKeyBPYYOISEKNPRAP-UHFFFAOYSA-N
MW191.24 g/mol
LogP-0.05
Rot. Bonds3

About 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile (PubChem CID 130892168) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile
PubChem CID130892168
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile
SMILESN#CCNCC1CCc2nncn2C1
InChIInChI=1S/C9H13N5/c10-3-4-11-5-8-1-2-9-13-12-7-14(9)6-8/h7-8,11H,1-2,4-6H2
InChIKeyBPYYOISEKNPRAP-UHFFFAOYSA-N
XLogP-0.05
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95610730
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propanamide
CID 95607539
N-[(1-benzylimidazol-2-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95750218
6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 129061172
N-(cyclopentylmethyl)-N-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 154759257
6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 177227339
N-(cyclopropylmethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 64577734
1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128994207
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)propan-2-amine
CID 131134209
5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 128967292
6-bromo-2-[2-oxo-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propyl]-4-propan-2-ylphthalazin-1-one
CID 170368535
(2R)-1-methoxy-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propan-2-amine
CID 129334490

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile?
The IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile (CID 130892168) is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile is N#CCNCC1CCc2nncn2C1.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile?
The InChIKey is BPYYOISEKNPRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c10-3-4-11-5-8-1-2-9-13-12-7-14(9)6-8/h7-8,11H,1-2,4-6H2.
What are the key properties of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile?
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile has a molecular weight of 191.24 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ylmethylamino)acetonitrile is sourced from PubChem (CID 130892168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).