2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine

C20H19N7 — CID 50976888

IUPAC2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine
SMILESCc1ccc(-n2nc(C3CC3)nc2-c2cccc(-n3cnnc3)n2)cc1C
InChIInChI=1S/C20H19N7/c1-13-6-9-16(10-14(13)2)27-20(24-19(25-27)15-7-8-15)17-4-3-5-18(23-17)26-11-21-22-12-26/h3-6,9-12,15H,7-8H2,1-2H3
InChIKeyHBXNJBGYCGFHQI-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.40
Rot. Bonds4

About 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine

2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine (PubChem CID 50976888) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine
PubChem CID50976888
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine
SMILESCc1ccc(-n2nc(C3CC3)nc2-c2cccc(-n3cnnc3)n2)cc1C
InChIInChI=1S/C20H19N7/c1-13-6-9-16(10-14(13)2)27-20(24-19(25-27)15-7-8-15)17-4-3-5-18(23-17)26-11-21-22-12-26/h3-6,9-12,15H,7-8H2,1-2H3
InChIKeyHBXNJBGYCGFHQI-UHFFFAOYSA-N
XLogP3.40
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine with MolForge

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Related Compounds

3-cyclopropyl-1-(3,4-dimethylphenyl)-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole
CID 50974074
5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
CID 50963786
4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine
CID 95126549
4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole
CID 50956899
3-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N-methylbenzamide
CID 154784209
2-[5-cyclopropyl-1-(3,4-dimethylphenyl)pyrazol-3-yl]acetonitrile
CID 82087736
5-[5-cyclopropyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-amine
CID 50982735
6-[5-(4-chloro-1-methylpyrazol-3-yl)-3-cyclopropyl-1,2,4-triazol-1-yl]-2-methyl-1,3-benzothiazole
CID 72916280
2-[5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50980083
6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
CID 150701965
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-6-methylaniline
CID 62721614
2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82482696

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine (CID 50976888) is 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine is Cc1ccc(-n2nc(C3CC3)nc2-c2cccc(-n3cnnc3)n2)cc1C.
What is the InChIKey of 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is HBXNJBGYCGFHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-13-6-9-16(10-14(13)2)27-20(24-19(25-27)15-7-8-15)17-4-3-5-18(23-17)26-11-21-22-12-26/h3-6,9-12,15H,7-8H2,1-2H3.
What are the key properties of 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine?
2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 357.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 50976888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).