1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide

C13H16N6O — CID 81404648

IUPAC1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2CNC2)nn1)c1cccnc1
InChIInChI=1S/C13H16N6O/c1-9(10-3-2-4-14-5-10)16-13(20)12-8-19(18-17-12)11-6-15-7-11/h2-5,8-9,11,15H,6-7H2,1H3,(H,16,20)/t9-/m1/s1
InChIKeyYBIZQEACKMOFGI-SECBINFHSA-N
MW272.31 g/mol
LogP0.31
Rot. Bonds4

About 1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide (PubChem CID 81404648) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide
PubChem CID81404648
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2CNC2)nn1)c1cccnc1
InChIInChI=1S/C13H16N6O/c1-9(10-3-2-4-14-5-10)16-13(20)12-8-19(18-17-12)11-6-15-7-11/h2-5,8-9,11,15H,6-7H2,1H3,(H,16,20)/t9-/m1/s1
InChIKeyYBIZQEACKMOFGI-SECBINFHSA-N
XLogP0.31
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]triazole-4-carboxamide
CID 81405057
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
CID 81356647
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
CID 119897450
1-(azetidin-3-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]triazole-4-carboxamide
CID 106388466
N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119899969
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
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119745542

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide (CID 81404648) is 1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide is C[C@@H](NC(=O)c1cn(C2CNC2)nn1)c1cccnc1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide?
The InChIKey is YBIZQEACKMOFGI-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9(10-3-2-4-14-5-10)16-13(20)12-8-19(18-17-12)11-6-15-7-11/h2-5,8-9,11,15H,6-7H2,1H3,(H,16,20)/t9-/m1/s1.
What are the key properties of 1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.31, 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-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide is sourced from PubChem (CID 81404648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).