1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide

C11H15N7O — CID 79316306

IUPAC1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide
SMILESCn1ccnc1CNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H15N7O/c1-17-3-2-13-10(17)6-14-11(19)9-7-18(16-15-9)8-4-12-5-8/h2-3,7-8,12H,4-6H2,1H3,(H,14,19)
InChIKeySBEVWNGKDQUDJM-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.91
Rot. Bonds4

About 1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide (PubChem CID 79316306) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide
PubChem CID79316306
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide
SMILESCn1ccnc1CNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H15N7O/c1-17-3-2-13-10(17)6-14-11(19)9-7-18(16-15-9)8-4-12-5-8/h2-3,7-8,12H,4-6H2,1H3,(H,14,19)
InChIKeySBEVWNGKDQUDJM-UHFFFAOYSA-N
XLogP-0.91
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
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-pentan-3-yltriazole-4-carboxamide
CID 79316819
1-(azetidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 79316777
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
CID 79316363
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 106096632
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836254
1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide
CID 79326027

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide (CID 79316306) is 1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide is Cn1ccnc1CNC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is SBEVWNGKDQUDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-17-3-2-13-10(17)6-14-11(19)9-7-18(16-15-9)8-4-12-5-8/h2-3,7-8,12H,4-6H2,1H3,(H,14,19).
What are the key properties of 1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 261.29 g/mol, XLogP of -0.91, 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-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 79316306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).