1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide

C12H19N5O2 — CID 106361221

IUPAC1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
SMILESO=C(NC1CCCC1CO)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H19N5O2/c18-7-8-2-1-3-10(8)14-12(19)11-6-17(16-15-11)9-4-13-5-9/h6,8-10,13,18H,1-5,7H2,(H,14,19)
InChIKeyVPEHDQAKHPAUSK-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.69
Rot. Bonds4

About 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide (PubChem CID 106361221) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
PubChem CID106361221
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
SMILESO=C(NC1CCCC1CO)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H19N5O2/c18-7-8-2-1-3-10(8)14-12(19)11-6-17(16-15-11)9-4-13-5-9/h6,8-10,13,18H,1-5,7H2,(H,14,19)
InChIKeyVPEHDQAKHPAUSK-UHFFFAOYSA-N
XLogP-0.69
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119818847
1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide
CID 79317007
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide
CID 103308251
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 75445547
1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
CID 79316456

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide (CID 106361221) is 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide is O=C(NC1CCCC1CO)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
The InChIKey is VPEHDQAKHPAUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-7-8-2-1-3-10(8)14-12(19)11-6-17(16-15-11)9-4-13-5-9/h6,8-10,13,18H,1-5,7H2,(H,14,19).
What are the key properties of 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide is sourced from PubChem (CID 106361221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).