1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide

C9H13N5O3S — CID 103308251

IUPAC1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cn(C2CNC2)nn1
InChIInChI=1S/C9H13N5O3S/c15-9(12-18(16,17)7-1-2-7)8-5-14(13-11-8)6-3-10-4-6/h5-7,10H,1-4H2,(H,12,15)
InChIKeyWQLQUBJYBHYAPM-UHFFFAOYSA-N
MW271.30 g/mol
LogP-1.36
Rot. Bonds4

About 1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide

1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide (PubChem CID 103308251) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide
PubChem CID103308251
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cn(C2CNC2)nn1
InChIInChI=1S/C9H13N5O3S/c15-9(12-18(16,17)7-1-2-7)8-5-14(13-11-8)6-3-10-4-6/h5-7,10H,1-4H2,(H,12,15)
InChIKeyWQLQUBJYBHYAPM-UHFFFAOYSA-N
XLogP-1.36
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-(azetidin-3-yl)-N-(2,4,6-trichlorophenyl)triazole-4-carboxamide
CID 79319395
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
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
N-(1-acetylpiperidin-4-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 79318572
1-(azetidin-3-yl)-N-(1-methylcyclohexyl)triazole-4-carboxamide
CID 79316456
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
CID 106361221
[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 79320031

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide (CID 103308251) is 1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide is O=C(NS(=O)(=O)C1CC1)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide?
The InChIKey is WQLQUBJYBHYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c15-9(12-18(16,17)7-1-2-7)8-5-14(13-11-8)6-3-10-4-6/h5-7,10H,1-4H2,(H,12,15).
What are the key properties of 1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide?
1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide has a molecular weight of 271.30 g/mol, XLogP of -1.36, 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-cyclopropylsulfonyltriazole-4-carboxamide is sourced from PubChem (CID 103308251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).