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

C13H15N5O2 — CID 79316576

IUPAC1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C3CNC3)nn2)cc1
InChIInChI=1S/C13H15N5O2/c1-20-11-4-2-9(3-5-11)15-13(19)12-8-18(17-16-12)10-6-14-7-10/h2-5,8,10,14H,6-7H2,1H3,(H,15,19)
InChIKeyMTLGLLXMCZEUCB-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.68
Rot. Bonds4

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

1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide (PubChem CID 79316576) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide
PubChem CID79316576
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C3CNC3)nn2)cc1
InChIInChI=1S/C13H15N5O2/c1-20-11-4-2-9(3-5-11)15-13(19)12-8-18(17-16-12)10-6-14-7-10/h2-5,8,10,14H,6-7H2,1H3,(H,15,19)
InChIKeyMTLGLLXMCZEUCB-UHFFFAOYSA-N
XLogP0.68
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide (CID 79316576) is 1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide is COc1ccc(NC(=O)c2cn(C3CNC3)nn2)cc1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is MTLGLLXMCZEUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-20-11-4-2-9(3-5-11)15-13(19)12-8-18(17-16-12)10-6-14-7-10/h2-5,8,10,14H,6-7H2,1H3,(H,15,19).
What are the key properties of 1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 79316576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).