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

C16H14Cl2N6O — CID 90456027

IUPAC(2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1c2nnn(-c3ncc[nH]3)c2CCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N6O/c1-9-14-12(24(22-21-14)16-19-6-7-20-16)5-8-23(9)15(25)10-3-2-4-11(17)13(10)18/h2-4,6-7,9H,5,8H2,1H3,(H,19,20)
InChIKeyVQCVABOXCAGFNX-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.06
Rot. Bonds2

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

(2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 90456027) has the molecular formula C16H14Cl2N6O and a molecular weight of 377.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID90456027
Molecular FormulaC16H14Cl2N6O
Molecular Weight377.24 g/mol
Exact Mass376.06
IUPAC Name(2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC1c2nnn(-c3ncc[nH]3)c2CCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2N6O/c1-9-14-12(24(22-21-14)16-19-6-7-20-16)5-8-23(9)15(25)10-3-2-4-11(17)13(10)18/h2-4,6-7,9H,5,8H2,1H3,(H,19,20)
InChIKeyVQCVABOXCAGFNX-UHFFFAOYSA-N
XLogP3.06
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 90456027) is (2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is CC1c2nnn(-c3ncc[nH]3)c2CCN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is VQCVABOXCAGFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6O/c1-9-14-12(24(22-21-14)16-19-6-7-20-16)5-8-23(9)15(25)10-3-2-4-11(17)13(10)18/h2-4,6-7,9H,5,8H2,1H3,(H,19,20).
What are the key properties of (2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
(2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 377.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[1-(1H-imidazol-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 90456027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).