ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole

C12H19N3 — CID 142493070

IUPACethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole
SMILESCC.Cc1ccc(N2CN(C)C=N2)cc1
InChIInChI=1S/C10H13N3.C2H6/c1-9-3-5-10(6-4-9)13-8-12(2)7-11-13;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyWUYMUCNHEYEBMX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds1

About ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole

ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole (PubChem CID 142493070) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole.

Molecular Properties

Compound Nameethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole
PubChem CID142493070
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Nameethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole
SMILESCC.Cc1ccc(N2CN(C)C=N2)cc1
InChIInChI=1S/C10H13N3.C2H6/c1-9-3-5-10(6-4-9)13-8-12(2)7-11-13;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyWUYMUCNHEYEBMX-UHFFFAOYSA-N
XLogP2.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine
CID 44389235
2-Methyl-4-(4-methylphenyl)-1,2,4-triazole-3-thione
CID 1488921
1,3-Di-p-tolyl-2,3-dihydro-1h-imidazole
CID 15936880
3-Fluoro-4-[4-methyl-5-methylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile
CID 20798628
1-(2-Fluoro-4-methylphenyl)-1-methylguanidine
CID 21516562
4-(4-Methylphenyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
CID 53853046
2-(2-Fluoroethyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one
CID 53962984
2-(3-fluorophenyl)-2,4-dimethyl-3H-1,2,4-triazol-2-ium
CID 67644717
2-(2-fluorophenyl)-2,4-dimethyl-3H-1,2,4-triazol-2-ium
CID 67645036
4-Propyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
CID 68604145
N'-[3-(3-fluoro-4-methylphenyl)-1,3-diazinan-1-yl]-N-methylidenecarbamimidoyl bromide
CID 134415347
4-Propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
CID 141212477

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole?
The IUPAC name of ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole (CID 142493070) is ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole.
What is the SMILES notation for ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole?
The canonical SMILES for ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole is CC.Cc1ccc(N2CN(C)C=N2)cc1.
What is the InChIKey of ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole?
The InChIKey is WUYMUCNHEYEBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C2H6/c1-9-3-5-10(6-4-9)13-8-12(2)7-11-13;1-2/h3-7H,8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole?
ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole has a molecular weight of 205.30 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(4-methylphenyl)-3H-1,2,4-triazole is sourced from PubChem (CID 142493070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).