6-pentyl-1,3,5-triazine-2,4-diamine

C8H15N5 — CID 18673

IUPAC6-pentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C8H15N5/c1-2-3-4-5-6-11-7(9)13-8(10)12-6/h2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyPJGTYLODAXOMPC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.77
Rot. Bonds4

About 6-pentyl-1,3,5-triazine-2,4-diamine

6-pentyl-1,3,5-triazine-2,4-diamine (PubChem CID 18673) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-pentyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-pentyl-1,3,5-triazine-2,4-diamine
PubChem CID18673
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name6-pentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C8H15N5/c1-2-3-4-5-6-11-7(9)13-8(10)12-6/h2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyPJGTYLODAXOMPC-UHFFFAOYSA-N
XLogP0.77
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-pentyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-pentyl-1,3,5-triazine-2,4-diamine (CID 18673) is 6-pentyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-pentyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-pentyl-1,3,5-triazine-2,4-diamine is CCCCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-pentyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PJGTYLODAXOMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-2-3-4-5-6-11-7(9)13-8(10)12-6/h2-5H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 6-pentyl-1,3,5-triazine-2,4-diamine?
6-pentyl-1,3,5-triazine-2,4-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).