1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide

C13H17N7O — CID 79319511

IUPAC1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide
SMILESCN(C)c1ccncc1NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H17N7O/c1-19(2)12-3-4-14-7-10(12)16-13(21)11-8-20(18-17-11)9-5-15-6-9/h3-4,7-9,15H,5-6H2,1-2H3,(H,16,21)
InChIKeyCGYKMCYQHOALAW-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.14
Rot. Bonds4

About 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide (PubChem CID 79319511) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide
PubChem CID79319511
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide
SMILESCN(C)c1ccncc1NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C13H17N7O/c1-19(2)12-3-4-14-7-10(12)16-13(21)11-8-20(18-17-11)9-5-15-6-9/h3-4,7-9,15H,5-6H2,1-2H3,(H,16,21)
InChIKeyCGYKMCYQHOALAW-UHFFFAOYSA-N
XLogP0.14
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-(2-iodophenyl)triazole-4-carboxamide
CID 79316829
1-(azetidin-3-yl)-N-(2-bromo-5-methylphenyl)triazole-4-carboxamide
CID 82756878
1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 79316576
1-(azetidin-3-yl)-N-(5-bromo-2-methoxyphenyl)triazole-4-carboxamide
CID 79319018
1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide
CID 81404648
1-(azetidin-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]triazole-4-carboxamide
CID 81405057
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138
N-(4-phenoxy-3-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119866030
1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide
CID 116786928
1-(azetidin-3-yl)-N-(4-chloro-3-fluorophenyl)triazole-4-carboxamide
CID 79316764
1-(azetidin-3-yl)-N-(2,4,6-trichlorophenyl)triazole-4-carboxamide
CID 79319395

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide (CID 79319511) is 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide is CN(C)c1ccncc1NC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide?
The InChIKey is CGYKMCYQHOALAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-19(2)12-3-4-14-7-10(12)16-13(21)11-8-20(18-17-11)9-5-15-6-9/h3-4,7-9,15H,5-6H2,1-2H3,(H,16,21).
What are the key properties of 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide has a molecular weight of 287.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[4-(dimethylamino)-3-pyridinyl]triazole-4-carboxamide is sourced from PubChem (CID 79319511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).