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

C18H14Cl2N4O — CID 86270818

IUPAC(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C18H14Cl2N4O/c19-14-8-4-7-13(17(14)20)18(25)23-10-9-16-15(11-23)21-22-24(16)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyDISDTFONGVKWEU-UHFFFAOYSA-N
MW373.24 g/mol
LogP3.77
Rot. Bonds2

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

(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 86270818) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID86270818
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C18H14Cl2N4O/c19-14-8-4-7-13(17(14)20)18(25)23-10-9-16-15(11-23)21-22-24(16)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyDISDTFONGVKWEU-UHFFFAOYSA-N
XLogP3.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (CID 86270818) is (2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCc2c(nnn2-c2ccccc2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is DISDTFONGVKWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-8-4-7-13(17(14)20)18(25)23-10-9-16-15(11-23)21-22-24(16)12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of (2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 373.24 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 86270818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).