4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine

C17H24N4 — CID 63868332

IUPAC4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C(CC)(CC)c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-10-14-19-15(21-16(18)20-14)17(5-2,6-3)13-11-8-7-9-12-13/h7-9,11-12H,4-6,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyKZADXQRLEFUGPR-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.51
Rot. Bonds6

About 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine

4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 63868332) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID63868332
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(C(CC)(CC)c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-10-14-19-15(21-16(18)20-14)17(5-2,6-3)13-11-8-7-9-12-13/h7-9,11-12H,4-6,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyKZADXQRLEFUGPR-UHFFFAOYSA-N
XLogP3.51
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine 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 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine (CID 63868332) is 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(C(CC)(CC)c2ccccc2)n1.
What is the InChIKey of 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is KZADXQRLEFUGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-10-14-19-15(21-16(18)20-14)17(5-2,6-3)13-11-8-7-9-12-13/h7-9,11-12H,4-6,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine?
4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 284.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).