1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide

C10H11N7O2 — CID 116786928

IUPAC1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H11N7O2/c18-9-2-1-8(14-15-9)12-10(19)7-5-17(16-13-7)6-3-11-4-6/h1-2,5-6,11H,3-4H2,(H,15,18)(H,12,14,19)
InChIKeyDPSYRIICOKCHLF-UHFFFAOYSA-N
MW261.25 g/mol
LogP-1.24
Rot. Bonds3

About 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide (PubChem CID 116786928) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide
PubChem CID116786928
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H11N7O2/c18-9-2-1-8(14-15-9)12-10(19)7-5-17(16-13-7)6-3-11-4-6/h1-2,5-6,11H,3-4H2,(H,15,18)(H,12,14,19)
InChIKeyDPSYRIICOKCHLF-UHFFFAOYSA-N
XLogP-1.24
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
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-(4-methoxyphenyl)triazole-4-carboxamide
CID 79316576
1-(azetidin-3-yl)-N-(2,4,6-trichlorophenyl)triazole-4-carboxamide
CID 79319395
1-(azetidin-3-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)triazole-4-carboxamide
CID 79326136
1-(azetidin-3-yl)-N-(4-chloro-3-fluorophenyl)triazole-4-carboxamide
CID 79316764
1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
CID 81356647
1-(azetidin-3-yl)-N-(2-bromo-5-methylphenyl)triazole-4-carboxamide
CID 82756878
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794232
[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116590655
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide (CID 116786928) is 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide is O=C(Nc1ccc(=O)[nH]n1)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide?
The InChIKey is DPSYRIICOKCHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c18-9-2-1-8(14-15-9)12-10(19)7-5-17(16-13-7)6-3-11-4-6/h1-2,5-6,11H,3-4H2,(H,15,18)(H,12,14,19).
What are the key properties of 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide has a molecular weight of 261.25 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 116786928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).