4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole

C13H15N3 — CID 115394164

IUPAC4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole
SMILESCc1ccc(-c2nncn2C2CC2)cc1C
InChIInChI=1S/C13H15N3/c1-9-3-4-11(7-10(9)2)13-15-14-8-16(13)12-5-6-12/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyQFSNYPUQDZKLHN-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.90
Rot. Bonds2

About 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole

4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole (PubChem CID 115394164) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole
PubChem CID115394164
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole
SMILESCc1ccc(-c2nncn2C2CC2)cc1C
InChIInChI=1S/C13H15N3/c1-9-3-4-11(7-10(9)2)13-15-14-8-16(13)12-5-6-12/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyQFSNYPUQDZKLHN-UHFFFAOYSA-N
XLogP2.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-3-(4-methyl-3-nitrophenyl)-1,2,4-triazole
CID 115394156
3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 107995852
6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 55108572
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol
CID 62696230
4-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
CID 104699010
[4-cyclopropyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593096
3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301392
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
CID 62694901
3-(2-bromo-3-methylphenyl)-4-cyclopropyl-1,2,4-triazole
CID 107984344
4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole
CID 136935234
5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62710580
4-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-nitroaniline
CID 62711941

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole (CID 115394164) is 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole is Cc1ccc(-c2nncn2C2CC2)cc1C.
What is the InChIKey of 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole?
The InChIKey is QFSNYPUQDZKLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-3-4-11(7-10(9)2)13-15-14-8-16(13)12-5-6-12/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole?
4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole has a molecular weight of 213.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole is sourced from PubChem (CID 115394164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).