2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol

C18H27N5O — CID 128995082

IUPAC2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCc1ncccc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C18H27N5O/c1-13-14(7-6-10-19-13)11-20-15-8-4-5-9-16(15)23-12-17(21-22-23)18(2,3)24/h6-7,10,12,15-16,20,24H,4-5,8-9,11H2,1-3H3/t15-,16+/m0/s1
InChIKeyPVQCBDZZGBPYCB-JKSUJKDBSA-N
MW329.45 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol

2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (PubChem CID 128995082) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
PubChem CID128995082
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
SMILESCc1ncccc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1
InChIInChI=1S/C18H27N5O/c1-13-14(7-6-10-19-13)11-20-15-8-4-5-9-16(15)23-12-17(21-22-23)18(2,3)24/h6-7,10,12,15-16,20,24H,4-5,8-9,11H2,1-3H3/t15-,16+/m0/s1
InChIKeyPVQCBDZZGBPYCB-JKSUJKDBSA-N
XLogP2.48
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol 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-[1-[(1R,2S)-2-[(2-chlorophenyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128991574
2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128992173
2-[1-[(1R,2S)-2-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 154754187
1-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-pyridin-3-ylurea
CID 154754194
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 130552141
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide
CID 128991055
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide
CID 128994036
3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide
CID 128965162
[1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128990969
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 115868289
[1-[(1R,2S)-2-(1-benzofuran-3-ylmethylamino)cyclohexyl]triazol-4-yl]methanol
CID 154754185
2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611231

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol (CID 128995082) is 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is Cc1ncccc1CN[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1.
What is the InChIKey of 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
The InChIKey is PVQCBDZZGBPYCB-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13-14(7-6-10-19-13)11-20-15-8-4-5-9-16(15)23-12-17(21-22-23)18(2,3)24/h6-7,10,12,15-16,20,24H,4-5,8-9,11H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol?
2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol has a molecular weight of 329.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 128995082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).