4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine

C10H18N4 — CID 69237759

IUPAC4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine
SMILESC=CCc1nnc(N)n1CCCCC
InChIInChI=1S/C10H18N4/c1-3-5-6-8-14-9(7-4-2)12-13-10(14)11/h4H,2-3,5-8H2,1H3,(H2,11,13)
InChIKeyQLTKYROZKWLLMM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.78
Rot. Bonds6

About 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine

4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine (PubChem CID 69237759) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine
PubChem CID69237759
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine
SMILESC=CCc1nnc(N)n1CCCCC
InChIInChI=1S/C10H18N4/c1-3-5-6-8-14-9(7-4-2)12-13-10(14)11/h4H,2-3,5-8H2,1H3,(H2,11,13)
InChIKeyQLTKYROZKWLLMM-UHFFFAOYSA-N
XLogP1.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine?
The IUPAC name of 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine (CID 69237759) is 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine is C=CCc1nnc(N)n1CCCCC.
What is the InChIKey of 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine?
The InChIKey is QLTKYROZKWLLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-5-6-8-14-9(7-4-2)12-13-10(14)11/h4H,2-3,5-8H2,1H3,(H2,11,13).
What are the key properties of 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine?
4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-5-prop-2-enyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 69237759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).