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

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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).