6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine

C15H10Cl2N6 — CID 118956754

IUPAC6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine
SMILESClc1ccc(Cn2cnc(-c3cc4n[nH]nc4cn3)c2)cc1Cl
InChIInChI=1S/C15H10Cl2N6/c16-10-2-1-9(3-11(10)17)6-23-7-15(19-8-23)12-4-13-14(5-18-12)21-22-20-13/h1-5,7-8H,6H2,(H,20,21,22)
InChIKeyJHUVNOIUTLYUSM-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.57
Rot. Bonds3

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

6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine (PubChem CID 118956754) has the molecular formula C15H10Cl2N6 and a molecular weight of 345.19 g/mol. Its IUPAC name is 6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine
PubChem CID118956754
Molecular FormulaC15H10Cl2N6
Molecular Weight345.19 g/mol
Exact Mass344.03
IUPAC Name6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine
SMILESClc1ccc(Cn2cnc(-c3cc4n[nH]nc4cn3)c2)cc1Cl
InChIInChI=1S/C15H10Cl2N6/c16-10-2-1-9(3-11(10)17)6-23-7-15(19-8-23)12-4-13-14(5-18-12)21-22-20-13/h1-5,7-8H,6H2,(H,20,21,22)
InChIKeyJHUVNOIUTLYUSM-UHFFFAOYSA-N
XLogP3.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
CID 10367574
2-(4-Chlorophenyl)imidazo[1,2-a]pyrimidine
CID 697292
3-(3,4-Dichlorophenyl)imidazo[1,2-a]pyridin-8-amine
CID 2763791
5-[(4-Chlorophenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10066826
8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
CID 10095715
8,9-Dichloro-1-methyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4H-3,6,10b-triaza-benzo[e]azulene
CID 10367575
5-[(3-Chlorophenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10426117
5-benzyl-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
CID 14727765
5-[(3,4-Dichlorophenyl)methyl]-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 44418335
3-chloro-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
CID 118978773
2-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
CID 118978848
7-(3,4-Dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843728

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine?
The IUPAC name of 6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine (CID 118956754) is 6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine?
The canonical SMILES for 6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine is Clc1ccc(Cn2cnc(-c3cc4n[nH]nc4cn3)c2)cc1Cl.
What is the InChIKey of 6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine?
The InChIKey is JHUVNOIUTLYUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N6/c16-10-2-1-9(3-11(10)17)6-23-7-15(19-8-23)12-4-13-14(5-18-12)21-22-20-13/h1-5,7-8H,6H2,(H,20,21,22).
What are the key properties of 6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine?
6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine has a molecular weight of 345.19 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3,4-dichlorophenyl)methyl]imidazol-4-yl]-2H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 118956754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).