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

C19H16Cl2N4O — CID 86271576

IUPAC(2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccccc3)c21
InChIInChI=1S/C19H16Cl2N4O/c1-12-10-24(19(26)14-8-5-9-15(20)17(14)21)11-16-18(12)25(23-22-16)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyHRVGMFIVQKUQSO-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.33
Rot. Bonds2

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

(2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 86271576) 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-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID86271576
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name(2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccccc3)c21
InChIInChI=1S/C19H16Cl2N4O/c1-12-10-24(19(26)14-8-5-9-15(20)17(14)21)11-16-18(12)25(23-22-16)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyHRVGMFIVQKUQSO-UHFFFAOYSA-N
XLogP4.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (CID 86271576) is (2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is CC1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccccc3)c21.
What is the InChIKey of (2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is HRVGMFIVQKUQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-12-10-24(19(26)14-8-5-9-15(20)17(14)21)11-16-18(12)25(23-22-16)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
(2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 387.27 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(7-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 86271576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).