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

C14H23N5O2 — CID 79319032

IUPAC1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2cn(C3CNC3)nn2)CC1
InChIInChI=1S/C14H23N5O2/c1-10-2-4-14(9-20,5-3-10)16-13(21)12-8-19(18-17-12)11-6-15-7-11/h8,10-11,15,20H,2-7,9H2,1H3,(H,16,21)
InChIKeyRZTCFBVBMCTCRK-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.09
Rot. Bonds4

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

1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide (PubChem CID 79319032) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide
PubChem CID79319032
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2cn(C3CNC3)nn2)CC1
InChIInChI=1S/C14H23N5O2/c1-10-2-4-14(9-20,5-3-10)16-13(21)12-8-19(18-17-12)11-6-15-7-11/h8,10-11,15,20H,2-7,9H2,1H3,(H,16,21)
InChIKeyRZTCFBVBMCTCRK-UHFFFAOYSA-N
XLogP0.09
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
CID 79316456
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 79316716
6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
CID 62551682
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 106361221
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide (CID 79319032) is 1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide is CC1CCC(CO)(NC(=O)c2cn(C3CNC3)nn2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide?
The InChIKey is RZTCFBVBMCTCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10-2-4-14(9-20,5-3-10)16-13(21)12-8-19(18-17-12)11-6-15-7-11/h8,10-11,15,20H,2-7,9H2,1H3,(H,16,21).
What are the key properties of 1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.09, 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-[1-(hydroxymethyl)-4-methylcyclohexyl]triazole-4-carboxamide is sourced from PubChem (CID 79319032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).