1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide

C14H16ClN5O — CID 81356647

IUPAC1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2CNC2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O/c1-9(10-2-4-11(15)5-3-10)17-14(21)13-8-20(19-18-13)12-6-16-7-12/h2-5,8-9,12,16H,6-7H2,1H3,(H,17,21)/t9-/m1/s1
InChIKeyJZHIYJFGRUQROV-SECBINFHSA-N
MW305.77 g/mol
LogP1.57
Rot. Bonds4

About 1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide (PubChem CID 81356647) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
PubChem CID81356647
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2CNC2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O/c1-9(10-2-4-11(15)5-3-10)17-14(21)13-8-20(19-18-13)12-6-16-7-12/h2-5,8-9,12,16H,6-7H2,1H3,(H,17,21)/t9-/m1/s1
InChIKeyJZHIYJFGRUQROV-SECBINFHSA-N
XLogP1.57
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.57
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-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide (CID 81356647) is 1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide is C[C@@H](NC(=O)c1cn(C2CNC2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide?
The InChIKey is JZHIYJFGRUQROV-SECBINFHSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-9(10-2-4-11(15)5-3-10)17-14(21)13-8-20(19-18-13)12-6-16-7-12/h2-5,8-9,12,16H,6-7H2,1H3,(H,17,21)/t9-/m1/s1.
What are the key properties of 1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 1.57, 4 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-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 81356647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).