(2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone

C19H16Cl2N4O — CID 90408915

IUPAC(2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone
SMILESCC1CNC(C(=O)c2cccc(Cl)c2Cl)c2nnn(-c3ccccc3)c21
InChIInChI=1S/C19H16Cl2N4O/c1-11-10-22-17(19(26)13-8-5-9-14(20)15(13)21)16-18(11)25(24-23-16)12-6-3-2-4-7-12/h2-9,11,17,22H,10H2,1H3
InChIKeyXSLNXVQVENZYOO-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.20
Rot. Bonds3

About (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone

(2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone (PubChem CID 90408915) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone
PubChem CID90408915
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name(2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone
SMILESCC1CNC(C(=O)c2cccc(Cl)c2Cl)c2nnn(-c3ccccc3)c21
InChIInChI=1S/C19H16Cl2N4O/c1-11-10-22-17(19(26)13-8-5-9-14(20)15(13)21)16-18(11)25(24-23-16)12-6-3-2-4-7-12/h2-9,11,17,22H,10H2,1H3
InChIKeyXSLNXVQVENZYOO-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone with MolForge

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Related Compounds

5-[(2,3-dichlorophenyl)carbonyl]-1-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CID 86270818
(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-4,6-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 86271575
(2,3-Dichlorophenyl)(7-methyl-1-phenyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5 (4H)-yl)methanone
CID 86271576
(2,3-dichlorophenyl)-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 90408850
US10112937, Example 62
CID 118893944
[2-Chloro-3-(trifluoromethyl)phenyl]-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone
CID 129135340
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(4-fluorophenyl)-4-methyl-6,7-dihydro-5H-triazolo[4,5-c]pyridin-4-yl]methanone
CID 138678093
(2,3-dichlorophenyl)-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 157452546
(3,4-Dichlorophenyl)-[1-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]piperidin-4-yl]methanone
CID 55956777
1-(2,3-Dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)phenyl]ethanone
CID 172715383
(2,3-Dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone
CID 172759087
1-(2,3-Dichlorophenyl)-2-[2-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)phenyl]ethanone
CID 172766398

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone (CID 90408915) is (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone is CC1CNC(C(=O)c2cccc(Cl)c2Cl)c2nnn(-c3ccccc3)c21.
What is the InChIKey of (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone?
The InChIKey is XSLNXVQVENZYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11-10-22-17(19(26)13-8-5-9-14(20)15(13)21)16-18(11)25(24-23-16)12-6-3-2-4-7-12/h2-9,11,17,22H,10H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone?
(2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone has a molecular weight of 387.27 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone is sourced from PubChem (CID 90408915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).