3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole

C16H19N3 — CID 131920905

IUPAC3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole
SMILESCc1ccc(-n2nc(C3CC3)nc2C2CC2)c(C)c1
InChIInChI=1S/C16H19N3/c1-10-3-8-14(11(2)9-10)19-16(13-6-7-13)17-15(18-19)12-4-5-12/h3,8-9,12-13H,4-7H2,1-2H3
InChIKeyMWBHMCNOCMLMOC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.64
Rot. Bonds3

About 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole

3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole (PubChem CID 131920905) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole
PubChem CID131920905
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole
SMILESCc1ccc(-n2nc(C3CC3)nc2C2CC2)c(C)c1
InChIInChI=1S/C16H19N3/c1-10-3-8-14(11(2)9-10)19-16(13-6-7-13)17-15(18-19)12-4-5-12/h3,8-9,12-13H,4-7H2,1-2H3
InChIKeyMWBHMCNOCMLMOC-UHFFFAOYSA-N
XLogP3.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Heptyl-1,5-diphenyl-1,2,4-triazole
CID 10149745
3-chloro-5-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
CID 63383537
1-(4-fluoro-2-methylphenyl)-3-methyl-1H-1,2,4-triazol-5-amine
CID 63860344
3,4-Dimethyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-ium
CID 24822710
1-Mesityl-3-phenyl-5-(trifluoromethyl)-1h-1,2,4-triazole
CID 139033812
1,5-Diphenyl-3-hexyl-1h-1,2,4-triazole
CID 25068389
5-Methyl-1,3-diphenyl-1H-1,2,4-triazole
CID 12633315
3-Methyl-1,5-diphenyl-1H-1,2,4-triazole
CID 12892734
1,3-diphenyl-5-propyl-1H-1,2,4-triazole
CID 24975976
4-(2',6'-Dimethylphenyl)-3-methyl-5-phenyl-4h-1,2,4-triazole
CID 58240243
3-(3-Methylphenyl)-1,5-diphenyl-1,2,4-triazole
CID 132499422
(3-{3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl}propyl)dimethylamine
CID 50985295

Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole?
The IUPAC name of 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole (CID 131920905) is 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole?
The canonical SMILES for 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole is Cc1ccc(-n2nc(C3CC3)nc2C2CC2)c(C)c1.
What is the InChIKey of 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole?
The InChIKey is MWBHMCNOCMLMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-10-3-8-14(11(2)9-10)19-16(13-6-7-13)17-15(18-19)12-4-5-12/h3,8-9,12-13H,4-7H2,1-2H3.
What are the key properties of 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole?
3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole has a molecular weight of 253.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclopropyl-1-(2,4-dimethylphenyl)-1,2,4-triazole is sourced from PubChem (CID 131920905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).