4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine

C9H16N4 — CID 79592460

IUPAC4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
SMILESCC(=CCCN)Cc1ncnn1C
InChIInChI=1S/C9H16N4/c1-8(4-3-5-10)6-9-11-7-12-13(9)2/h4,7H,3,5-6,10H2,1-2H3
InChIKeyQMPWWEYVYAUQMT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.65
Rot. Bonds4

About 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine

4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine (PubChem CID 79592460) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
PubChem CID79592460
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
SMILESCC(=CCCN)Cc1ncnn1C
InChIInChI=1S/C9H16N4/c1-8(4-3-5-10)6-9-11-7-12-13(9)2/h4,7H,3,5-6,10H2,1-2H3
InChIKeyQMPWWEYVYAUQMT-UHFFFAOYSA-N
XLogP0.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The IUPAC name of 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine (CID 79592460) is 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine.
What is the SMILES notation for 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The canonical SMILES for 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine is CC(=CCCN)Cc1ncnn1C.
What is the InChIKey of 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
The InChIKey is QMPWWEYVYAUQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8(4-3-5-10)6-9-11-7-12-13(9)2/h4,7H,3,5-6,10H2,1-2H3.
What are the key properties of 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine?
4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 79592460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).