1-(3,4-dimethylpent-3-enyl)triazol-4-amine

C9H16N4 — CID 165481462

IUPAC1-(3,4-dimethylpent-3-enyl)triazol-4-amine
SMILESCC(C)=C(C)CCn1cc(N)nn1
InChIInChI=1S/C9H16N4/c1-7(2)8(3)4-5-13-6-9(10)11-12-13/h6H,4-5,10H2,1-3H3
InChIKeyDAXNFOCUCZGGOW-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds3

About 1-(3,4-dimethylpent-3-enyl)triazol-4-amine

1-(3,4-dimethylpent-3-enyl)triazol-4-amine (PubChem CID 165481462) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(3,4-dimethylpent-3-enyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethylpent-3-enyl)triazol-4-amine
PubChem CID165481462
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(3,4-dimethylpent-3-enyl)triazol-4-amine
SMILESCC(C)=C(C)CCn1cc(N)nn1
InChIInChI=1S/C9H16N4/c1-7(2)8(3)4-5-13-6-9(10)11-12-13/h6H,4-5,10H2,1-3H3
InChIKeyDAXNFOCUCZGGOW-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoropropyl)triazol-4-amine
CID 81110158
1-(aminomethyl)triazol-4-amine
CID 22639545
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466
1-[(4E)-4-methoxyiminobutyl]triazol-4-amine
CID 162529995
1-(2-methylbutyl)triazol-4-amine
CID 79531086
2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
CID 165480854
1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine
CID 165472993
4-[1-(3-oxobutyl)triazol-4-yl]butan-2-one
CID 58003253
1-[(1,1-dioxothietan-3-yl)methyl]triazol-4-amine
CID 165480918
1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine
CID 165473092
1-[(5-chloro-1-methylpyrazol-3-yl)methyl]triazol-4-amine
CID 165481119
[N'-[2-[2-(4-aminotriazol-1-yl)ethyldisulfanyl]ethyl]carbamimidoyl]iminoazanium
CID 163977786

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpent-3-enyl)triazol-4-amine?
The IUPAC name of 1-(3,4-dimethylpent-3-enyl)triazol-4-amine (CID 165481462) is 1-(3,4-dimethylpent-3-enyl)triazol-4-amine.
What is the SMILES notation for 1-(3,4-dimethylpent-3-enyl)triazol-4-amine?
The canonical SMILES for 1-(3,4-dimethylpent-3-enyl)triazol-4-amine is CC(C)=C(C)CCn1cc(N)nn1.
What is the InChIKey of 1-(3,4-dimethylpent-3-enyl)triazol-4-amine?
The InChIKey is DAXNFOCUCZGGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)8(3)4-5-13-6-9(10)11-12-13/h6H,4-5,10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpent-3-enyl)triazol-4-amine?
1-(3,4-dimethylpent-3-enyl)triazol-4-amine has a molecular weight of 180.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpent-3-enyl)triazol-4-amine is sourced from PubChem (CID 165481462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).