5-pentyl-1,2,4-triazin-3-amine

C8H14N4 — CID 67377570

IUPAC5-pentyl-1,2,4-triazin-3-amine
SMILESCCCCCc1cnnc(N)n1
InChIInChI=1S/C8H14N4/c1-2-3-4-5-7-6-10-12-8(9)11-7/h6H,2-5H2,1H3,(H2,9,11,12)
InChIKeyKYSNYVJWDIKFBK-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.19
Rot. Bonds4

About 5-pentyl-1,2,4-triazin-3-amine

5-pentyl-1,2,4-triazin-3-amine (PubChem CID 67377570) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-pentyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-pentyl-1,2,4-triazin-3-amine
PubChem CID67377570
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-pentyl-1,2,4-triazin-3-amine
SMILESCCCCCc1cnnc(N)n1
InChIInChI=1S/C8H14N4/c1-2-3-4-5-7-6-10-12-8(9)11-7/h6H,2-5H2,1H3,(H2,9,11,12)
InChIKeyKYSNYVJWDIKFBK-UHFFFAOYSA-N
XLogP1.19
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-pentyl-1,2,4-triazin-3-amine (CID 67377570) is 5-pentyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-pentyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-pentyl-1,2,4-triazin-3-amine is CCCCCc1cnnc(N)n1.
What is the InChIKey of 5-pentyl-1,2,4-triazin-3-amine?
The InChIKey is KYSNYVJWDIKFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-3-4-5-7-6-10-12-8(9)11-7/h6H,2-5H2,1H3,(H2,9,11,12).
What are the key properties of 5-pentyl-1,2,4-triazin-3-amine?
5-pentyl-1,2,4-triazin-3-amine has a molecular weight of 166.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 67377570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).