N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide

C15H18N4O2 — CID 104927751

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H18N4O2/c20-14-9-5-4-8-12(14)16-15(21)13-10-19(18-17-13)11-6-2-1-3-7-11/h1-3,6-7,10,12,14,20H,4-5,8-9H2,(H,16,21)/t12-,14-/m1/s1
InChIKeyRJTCZRANMPETEQ-TZMCWYRMSA-N
MW286.33 g/mol
LogP1.30
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide (PubChem CID 104927751) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
PubChem CID104927751
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H18N4O2/c20-14-9-5-4-8-12(14)16-15(21)13-10-19(18-17-13)11-6-2-1-3-7-11/h1-3,6-7,10,12,14,20H,4-5,8-9H2,(H,16,21)/t12-,14-/m1/s1
InChIKeyRJTCZRANMPETEQ-TZMCWYRMSA-N
XLogP1.30
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230187
1-[(1S,2S)-2-hydroxycyclohexyl]-3-[(1-phenyltriazol-4-yl)methyl]urea
CID 97055329
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
CID 56901358
N-cyano-1-phenyltriazole-4-carboxamide
CID 79194691
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
2-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61261546
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(2-chlorophenyl)triazole-4-carboxamide
CID 95320979

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide (CID 104927751) is N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is RJTCZRANMPETEQ-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-9-5-4-8-12(14)16-15(21)13-10-19(18-17-13)11-6-2-1-3-7-11/h1-3,6-7,10,12,14,20H,4-5,8-9H2,(H,16,21)/t12-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 104927751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).