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

C18H22N4O2 — CID 111332085

IUPAC5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c23-17(19-12-18(24)10-4-5-11-18)15-20-16(13-8-9-13)22(21-15)14-6-2-1-3-7-14/h1-3,6-7,13,24H,4-5,8-12H2,(H,19,23)
InChIKeyFKJPPNZINQBWHU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.18
Rot. Bonds5

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

5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 111332085) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID111332085
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c23-17(19-12-18(24)10-4-5-11-18)15-20-16(13-8-9-13)22(21-15)14-6-2-1-3-7-14/h1-3,6-7,13,24H,4-5,8-12H2,(H,19,23)
InChIKeyFKJPPNZINQBWHU-UHFFFAOYSA-N
XLogP2.18
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 111332085) is 5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide is O=C(NCC1(O)CCCC1)c1nc(C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of 5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is FKJPPNZINQBWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(19-12-18(24)10-4-5-11-18)15-20-16(13-8-9-13)22(21-15)14-6-2-1-3-7-14/h1-3,6-7,13,24H,4-5,8-12H2,(H,19,23).
What are the key properties of 5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 111332085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).