(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone

C17H15N5O — CID 72892102

IUPAC(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnc2)c1)N1CC(c2cccnc2)C1
InChIInChI=1S/C17H15N5O/c23-17(21-9-15(10-21)14-4-2-6-18-8-14)13-3-1-5-16(7-13)22-11-19-20-12-22/h1-8,11-12,15H,9-10H2
InChIKeyGOZPYMRCGJAQAX-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.90
Rot. Bonds3

About (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone

(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 72892102) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID72892102
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnc2)c1)N1CC(c2cccnc2)C1
InChIInChI=1S/C17H15N5O/c23-17(21-9-15(10-21)14-4-2-6-18-8-14)13-3-1-5-16(7-13)22-11-19-20-12-22/h1-8,11-12,15H,9-10H2
InChIKeyGOZPYMRCGJAQAX-UHFFFAOYSA-N
XLogP1.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110108008
(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72913685
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124969122
[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 118761649
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72901260
[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 125006902
1-[(3R,4R)-4-hydroxy-1-[3-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698952
[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72871043
(3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone
CID 166244720
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
CID 126826318
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 129455824
[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110103587

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone (CID 72892102) is (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone is O=C(c1cccc(-n2cnnc2)c1)N1CC(c2cccnc2)C1.
What is the InChIKey of (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is GOZPYMRCGJAQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(21-9-15(10-21)14-4-2-6-18-8-14)13-3-1-5-16(7-13)22-11-19-20-12-22/h1-8,11-12,15H,9-10H2.
What are the key properties of (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 305.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 72892102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).