3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine

C13H27N5 — CID 66709652

IUPAC3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine
SMILESCCCCCC1=NC(N)N(CCCCC)C(N)=N1
InChIInChI=1S/C13H27N5/c1-3-5-7-9-11-16-12(14)18(13(15)17-11)10-8-6-4-2/h12H,3-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyNTPSRDBIKLJNRK-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.03
Rot. Bonds8

About 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine

3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 66709652) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine
PubChem CID66709652
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine
SMILESCCCCCC1=NC(N)N(CCCCC)C(N)=N1
InChIInChI=1S/C13H27N5/c1-3-5-7-9-11-16-12(14)18(13(15)17-11)10-8-6-4-2/h12H,3-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyNTPSRDBIKLJNRK-UHFFFAOYSA-N
XLogP2.03
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine (CID 66709652) is 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine is CCCCCC1=NC(N)N(CCCCC)C(N)=N1.
What is the InChIKey of 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is NTPSRDBIKLJNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-3-5-7-9-11-16-12(14)18(13(15)17-11)10-8-6-4-2/h12H,3-10,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine?
3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 253.39 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dipentyl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66709652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).