1-pent-4-en-2-yl-1,2,4-triazol-3-amine

C7H12N4 — CID 130856414

IUPAC1-pent-4-en-2-yl-1,2,4-triazol-3-amine
SMILESC=CCC(C)n1cnc(N)n1
InChIInChI=1S/C7H12N4/c1-3-4-6(2)11-5-9-7(8)10-11/h3,5-6H,1,4H2,2H3,(H2,8,10)
InChIKeyBRMNOJBDPGMVOU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.00
Rot. Bonds3

About 1-pent-4-en-2-yl-1,2,4-triazol-3-amine

1-pent-4-en-2-yl-1,2,4-triazol-3-amine (PubChem CID 130856414) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-pent-4-en-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-pent-4-en-2-yl-1,2,4-triazol-3-amine
PubChem CID130856414
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-pent-4-en-2-yl-1,2,4-triazol-3-amine
SMILESC=CCC(C)n1cnc(N)n1
InChIInChI=1S/C7H12N4/c1-3-4-6(2)11-5-9-7(8)10-11/h3,5-6H,1,4H2,2H3,(H2,8,10)
InChIKeyBRMNOJBDPGMVOU-UHFFFAOYSA-N
XLogP1.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-pent-4-en-2-yl-1,2,4-triazol-3-amine 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

1-(But-3-en-1-yl)-1H-1,2,4-triazole
CID 11147711
1-(Prop-2-en-1-yl)-1H-1,2,4-triazol-3-amine
CID 19833650
1-(1,2,4-Triazol-1-yl)prop-2-en-1-amine
CID 70401313
2-Prop-2-enyl-1,2,4-triazol-3-amine
CID 86084691
1-(3-Ethylpyrazol-3-yl)-1,2,4-triazole
CID 90684808
1-(5-Methylhexa-1,5-dien-3-yl)-1,2,4-triazole
CID 91429396
1-Pent-3-en-2-yl-1,2,4-triazole
CID 123592496
2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine
CID 145221182
1-Pent-4-enyl-1,2,4-triazole
CID 19886504
1-(butan-2-yl)-1H-1,2,4-triazol-3-amine
CID 60911961
2-Butan-2-yl-1,2,4-triazol-3-amine
CID 62677714
2-Pentan-3-yl-1,2,4-triazol-3-amine
CID 62677914

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-en-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 1-pent-4-en-2-yl-1,2,4-triazol-3-amine (CID 130856414) is 1-pent-4-en-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-pent-4-en-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-pent-4-en-2-yl-1,2,4-triazol-3-amine is C=CCC(C)n1cnc(N)n1.
What is the InChIKey of 1-pent-4-en-2-yl-1,2,4-triazol-3-amine?
The InChIKey is BRMNOJBDPGMVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-4-6(2)11-5-9-7(8)10-11/h3,5-6H,1,4H2,2H3,(H2,8,10).
What are the key properties of 1-pent-4-en-2-yl-1,2,4-triazol-3-amine?
1-pent-4-en-2-yl-1,2,4-triazol-3-amine has a molecular weight of 152.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-en-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 130856414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).