2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile

C15H18N6O — CID 95764314

IUPAC2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile
SMILESCc1nc(C)n(C[C@@H]2CN(c3ncccc3C#N)CCO2)n1
InChIInChI=1S/C15H18N6O/c1-11-18-12(2)21(19-11)10-14-9-20(6-7-22-14)15-13(8-16)4-3-5-17-15/h3-5,14H,6-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyHDYDBGKPOXEQNL-AWEZNQCLSA-N
MW298.35 g/mol
LogP1.07
Rot. Bonds3

About 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile

2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile (PubChem CID 95764314) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile
PubChem CID95764314
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile
SMILESCc1nc(C)n(C[C@@H]2CN(c3ncccc3C#N)CCO2)n1
InChIInChI=1S/C15H18N6O/c1-11-18-12(2)21(19-11)10-14-9-20(6-7-22-14)15-13(8-16)4-3-5-17-15/h3-5,14H,6-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyHDYDBGKPOXEQNL-AWEZNQCLSA-N
XLogP1.07
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile 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-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 56869919
3-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 95764327
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine
CID 95764324
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98768792
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95882703
2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile
CID 166225727
2-(2-ethylmorpholin-4-yl)benzonitrile
CID 43429873
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 167849231
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile (CID 95764314) is 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile is Cc1nc(C)n(C[C@@H]2CN(c3ncccc3C#N)CCO2)n1.
What is the InChIKey of 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile?
The InChIKey is HDYDBGKPOXEQNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11-18-12(2)21(19-11)10-14-9-20(6-7-22-14)15-13(8-16)4-3-5-17-15/h3-5,14H,6-7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile?
2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95764314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).