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

C9H15N3 — CID 164658335

IUPAC4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole
SMILESCC(C)=CCCc1nncn1C
InChIInChI=1S/C9H15N3/c1-8(2)5-4-6-9-11-10-7-12(9)3/h5,7H,4,6H2,1-3H3
InChIKeyCRRUGDRIOMTHFK-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.71
Rot. Bonds3

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

4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole (PubChem CID 164658335) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole
PubChem CID164658335
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole
SMILESCC(C)=CCCc1nncn1C
InChIInChI=1S/C9H15N3/c1-8(2)5-4-6-9-11-10-7-12(9)3/h5,7H,4,6H2,1-3H3
InChIKeyCRRUGDRIOMTHFK-UHFFFAOYSA-N
XLogP1.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Allyl-4-methyl-1,2,4-triazole
CID 129875053
1-Methyl-3(1-methyl-1,2,5,6-tetrahydro-3-pyridyl)-1,2,4-triazole
CID 10932009
4-Methyl-3-pent-3-enyl-1,2,4-triazole
CID 69341903
6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 91527987
4-(6-Methylhepta-4,6-dienyl)-3-propyl-1,2,4-triazole
CID 123155448
3-(6-Ethylocta-4,6-dienyl)-1-methyl-1,2,4-triazole
CID 123513251
4-Methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole
CID 123675277
5,6-Dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123757273
3-But-2-en-2-yl-4-ethyl-1,2,4-triazole
CID 123795652
5-Ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123819444
3-Buta-1,3-dien-2-yl-4-ethyl-1,2,4-triazole
CID 123928389
1-(2-Ethylbuta-1,3-dienyl)-5-propyl-1,2,4-triazole
CID 123994001

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole (CID 164658335) is 4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole is CC(C)=CCCc1nncn1C.
What is the InChIKey of 4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole?
The InChIKey is CRRUGDRIOMTHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8(2)5-4-6-9-11-10-7-12(9)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole?
4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylpent-3-enyl)-1,2,4-triazole is sourced from PubChem (CID 164658335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).