3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole

C7H11N3 — CID 58503812

IUPAC3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCC(C)=Cn1cnc(C)n1
InChIInChI=1S/C7H11N3/c1-6(2)4-10-5-8-7(3)9-10/h4-5H,1-3H3
InChIKeyHVEYBBBUNIJONA-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.47
Rot. Bonds1

About 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole

3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole (PubChem CID 58503812) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
PubChem CID58503812
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCC(C)=Cn1cnc(C)n1
InChIInChI=1S/C7H11N3/c1-6(2)4-10-5-8-7(3)9-10/h4-5H,1-3H3
InChIKeyHVEYBBBUNIJONA-UHFFFAOYSA-N
XLogP1.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 20744898
CID 20744898
CID 13739249
CID 13739249
CID 13739250
CID 13739250
CID 130978156
CID 130978156
CID 131131699
CID 131131699
CID 144028656
CID 144028656
CID 12278548
CID 12278548
CID 20791685
CID 20791685
CID 54015825
CID 54015825
CID 56977342
CID 56977342
CID 57111660
CID 57111660
CID 57246645
CID 57246645

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole (CID 58503812) is 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole is CC(C)=Cn1cnc(C)n1.
What is the InChIKey of 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
The InChIKey is HVEYBBBUNIJONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6(2)4-10-5-8-7(3)9-10/h4-5H,1-3H3.
What are the key properties of 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole is sourced from PubChem (CID 58503812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).