1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide

C13H23N5O — CID 79326360

IUPAC1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H23N5O/c1-4-9(2)5-10(3)15-13(19)12-8-18(17-16-12)11-6-14-7-11/h8-11,14H,4-7H2,1-3H3,(H,15,19)
InChIKeyKBTYINRCJSCWRR-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds6

About 1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide (PubChem CID 79326360) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide
PubChem CID79326360
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H23N5O/c1-4-9(2)5-10(3)15-13(19)12-8-18(17-16-12)11-6-14-7-11/h8-11,14H,4-7H2,1-3H3,(H,15,19)
InChIKeyKBTYINRCJSCWRR-UHFFFAOYSA-N
XLogP0.98
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138
1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
CID 79316363
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
CID 79319330
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
CID 81356647
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide (CID 79326360) is 1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide is CCC(C)CC(C)NC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide?
The InChIKey is KBTYINRCJSCWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-9(2)5-10(3)15-13(19)12-8-18(17-16-12)11-6-14-7-11/h8-11,14H,4-7H2,1-3H3,(H,15,19).
What are the key properties of 1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(4-methylhexan-2-yl)triazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.98, 6 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-(4-methylhexan-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 79326360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).