2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile

C11H17N5 — CID 118957080

IUPAC2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile
SMILESC[C@@H](NCc1cn(CC#N)nn1)C1CCC1
InChIInChI=1S/C11H17N5/c1-9(10-3-2-4-10)13-7-11-8-16(6-5-12)15-14-11/h8-10,13H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyGMOGLNMRBSHOCZ-SECBINFHSA-N
MW219.29 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile

2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile (PubChem CID 118957080) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile
PubChem CID118957080
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile
SMILESC[C@@H](NCc1cn(CC#N)nn1)C1CCC1
InChIInChI=1S/C11H17N5/c1-9(10-3-2-4-10)13-7-11-8-16(6-5-12)15-14-11/h8-10,13H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyGMOGLNMRBSHOCZ-SECBINFHSA-N
XLogP1.08
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]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

2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
CID 66268500
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
3-[4-[[1-(oxolan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269675
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
CID 62423750
2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
CID 81385869
N-[[1-[2-[cyclopentylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 63655308
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62412244
N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile (CID 118957080) is 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile is C[C@@H](NCc1cn(CC#N)nn1)C1CCC1.
What is the InChIKey of 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile?
The InChIKey is GMOGLNMRBSHOCZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(10-3-2-4-10)13-7-11-8-16(6-5-12)15-14-11/h8-10,13H,2-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile?
2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile is sourced from PubChem (CID 118957080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).