N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

C18H24N4O2 — CID 111460181

IUPACN-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCC3CCCC(O)C3)c2C)cc1
InChIInChI=1S/C18H24N4O2/c1-12-6-8-15(9-7-12)22-13(2)17(20-21-22)18(24)19-11-14-4-3-5-16(23)10-14/h6-9,14,16,23H,3-5,10-11H2,1-2H3,(H,19,24)
InChIKeyHXYNDBZUNCTARE-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.17
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 111460181) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID111460181
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCC3CCCC(O)C3)c2C)cc1
InChIInChI=1S/C18H24N4O2/c1-12-6-8-15(9-7-12)22-13(2)17(20-21-22)18(24)19-11-14-4-3-5-16(23)10-14/h6-9,14,16,23H,3-5,10-11H2,1-2H3,(H,19,24)
InChIKeyHXYNDBZUNCTARE-UHFFFAOYSA-N
XLogP2.17
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 120829414
N-[(3-hydroxycyclohexyl)methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 111460192
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 56551997
5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119461578
N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide
CID 111459728
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 138999013
N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 113241315
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
7-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]heptanoic acid
CID 119227588

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 111460181) is N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NCC3CCCC(O)C3)c2C)cc1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is HXYNDBZUNCTARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-6-8-15(9-7-12)22-13(2)17(20-21-22)18(24)19-11-14-4-3-5-16(23)10-14/h6-9,14,16,23H,3-5,10-11H2,1-2H3,(H,19,24).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 111460181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).