5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide

C24H26N4O3 — CID 86974251

IUPAC5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O3/c29-20-8-4-5-9-21(20)31-19-14-12-17(13-15-19)25-24(30)22-26-23(16-10-11-16)28(27-22)18-6-2-1-3-7-18/h1-3,6-7,12-16,20-21,29H,4-5,8-11H2,(H,25,30)
InChIKeyAUKMODBGGOQZGE-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.08
Rot. Bonds6

About 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 86974251) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID86974251
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O3/c29-20-8-4-5-9-21(20)31-19-14-12-17(13-15-19)25-24(30)22-26-23(16-10-11-16)28(27-22)18-6-2-1-3-7-18/h1-3,6-7,12-16,20-21,29H,4-5,8-11H2,(H,25,30)
InChIKeyAUKMODBGGOQZGE-UHFFFAOYSA-N
XLogP4.08
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 86881454
5-cyclopropyl-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881343
[4-(cyclohexanecarbonylamino)phenyl] 5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxylate
CID 86934045
N-[4-(cyanomethyl)phenyl]-5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 56823295
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
5-cyclopropyl-N-[1-(4-fluorophenoxy)propan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881413
N-(4-cyclopentyloxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 46570793
2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
CID 119793780
5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 111332085
5-cyclopropyl-1-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 86940781
2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide
CID 111825146
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 86974251) is 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc(OC2CCCCC2O)cc1)c1nc(C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is AUKMODBGGOQZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-20-8-4-5-9-21(20)31-19-14-12-17(13-15-19)25-24(30)22-26-23(16-10-11-16)28(27-22)18-6-2-1-3-7-18/h1-3,6-7,12-16,20-21,29H,4-5,8-11H2,(H,25,30).
What are the key properties of 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86974251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).