1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide

C19H17N5O2 — CID 75473352

IUPAC1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C2CN(C(=O)c3ccccc3-c3ccccc3)C2)nn1
InChIInChI=1S/C19H17N5O2/c20-18(25)17-12-24(22-21-17)14-10-23(11-14)19(26)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,12,14H,10-11H2,(H2,20,25)
InChIKeyFQNFKKZLKNNCBG-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.74
Rot. Bonds4

About 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide

1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide (PubChem CID 75473352) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide
PubChem CID75473352
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C2CN(C(=O)c3ccccc3-c3ccccc3)C2)nn1
InChIInChI=1S/C19H17N5O2/c20-18(25)17-12-24(22-21-17)14-10-23(11-14)19(26)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,12,14H,10-11H2,(H2,20,25)
InChIKeyFQNFKKZLKNNCBG-UHFFFAOYSA-N
XLogP1.74
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone
CID 97342668
1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide
CID 146089762
1-[1-(5-chloro-2-propan-2-yloxybenzoyl)azetidin-3-yl]triazole-4-carboxamide
CID 75473329
(2-methylsulfanyl-3-pyridinyl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624921
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121190090
[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 75473408
(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473419
(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473451
[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone
CID 86264982
1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312333
(1R,5S)-6-methyl-3-(2-phenylbenzoyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133122074
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide (CID 75473352) is 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide is NC(=O)c1cn(C2CN(C(=O)c3ccccc3-c3ccccc3)C2)nn1.
What is the InChIKey of 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide?
The InChIKey is FQNFKKZLKNNCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-18(25)17-12-24(22-21-17)14-10-23(11-14)19(26)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,12,14H,10-11H2,(H2,20,25).
What are the key properties of 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide?
1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 75473352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).