1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide

C13H21N5O — CID 79316456

IUPAC1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
SMILESCC1(NC(=O)c2cn(C3CNC3)nn2)CCCCC1
InChIInChI=1S/C13H21N5O/c1-13(5-3-2-4-6-13)15-12(19)11-9-18(17-16-11)10-7-14-8-10/h9-10,14H,2-8H2,1H3,(H,15,19)
InChIKeyCLUAEWIZTYDNAK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.88
Rot. Bonds3

About 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide (PubChem CID 79316456) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
PubChem CID79316456
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
SMILESCC1(NC(=O)c2cn(C3CNC3)nn2)CCCCC1
InChIInChI=1S/C13H21N5O/c1-13(5-3-2-4-6-13)15-12(19)11-9-18(17-16-11)10-7-14-8-10/h9-10,14H,2-8H2,1H3,(H,15,19)
InChIKeyCLUAEWIZTYDNAK-UHFFFAOYSA-N
XLogP0.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide
CID 79319032
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
methyl 1-[(1-piperidin-4-yltriazole-4-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119701259
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide
CID 79326027
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
1-(azetidin-3-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide
CID 79318915

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide (CID 79316456) is 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide is CC1(NC(=O)c2cn(C3CNC3)nn2)CCCCC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide?
The InChIKey is CLUAEWIZTYDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-13(5-3-2-4-6-13)15-12(19)11-9-18(17-16-11)10-7-14-8-10/h9-10,14H,2-8H2,1H3,(H,15,19).
What are the key properties of 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide is sourced from PubChem (CID 79316456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).