1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide

C13H23N5O2 — CID 79326027

IUPAC1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H23N5O2/c1-9(2)4-13(3,20)8-15-12(19)11-7-18(17-16-11)10-5-14-6-10/h7,9-10,14,20H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyCXJAQNKOUVZUKV-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.05
Rot. Bonds6

About 1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide (PubChem CID 79326027) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide
PubChem CID79326027
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H23N5O2/c1-9(2)4-13(3,20)8-15-12(19)11-7-18(17-16-11)10-5-14-6-10/h7,9-10,14,20H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyCXJAQNKOUVZUKV-UHFFFAOYSA-N
XLogP-0.05
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 106096632
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
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
1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
CID 79316456
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
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-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide (CID 79326027) is 1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide is CC(C)CC(C)(O)CNC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide?
The InChIKey is CXJAQNKOUVZUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)4-13(3,20)8-15-12(19)11-7-18(17-16-11)10-5-14-6-10/h7,9-10,14,20H,4-6,8H2,1-3H3,(H,15,19).
What are the key properties of 1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.05, 6 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-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide is sourced from PubChem (CID 79326027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).