1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide

C14H25N5O — CID 79316211

IUPAC1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H25N5O/c1-10(2)5-4-6-11(3)16-14(20)13-9-19(18-17-13)12-7-15-8-12/h9-12,15H,4-8H2,1-3H3,(H,16,20)
InChIKeyBGOGXCUQKSOVAA-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.37
Rot. Bonds7

About 1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide (PubChem CID 79316211) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
PubChem CID79316211
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H25N5O/c1-10(2)5-4-6-11(3)16-14(20)13-9-19(18-17-13)12-7-15-8-12/h9-12,15H,4-8H2,1-3H3,(H,16,20)
InChIKeyBGOGXCUQKSOVAA-UHFFFAOYSA-N
XLogP1.37
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide (CID 79316211) is 1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide is CC(C)CCCC(C)NC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide?
The InChIKey is BGOGXCUQKSOVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10(2)5-4-6-11(3)16-14(20)13-9-19(18-17-13)12-7-15-8-12/h9-12,15H,4-8H2,1-3H3,(H,16,20).
What are the key properties of 1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.37, 7 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-(6-methylheptan-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 79316211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).