4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine

C13H24N6 — CID 155568016

IUPAC4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine
SMILESCCC(CC)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H24N6/c1-4-10(5-2)11-15-12(14)17-13(16-11)19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyXYORNDHNKBLWAN-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.11
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine

4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine (PubChem CID 155568016) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine
PubChem CID155568016
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine
SMILESCCC(CC)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H24N6/c1-4-10(5-2)11-15-12(14)17-13(16-11)19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyXYORNDHNKBLWAN-UHFFFAOYSA-N
XLogP1.11
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine (CID 155568016) is 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine is CCC(CC)c1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine?
The InChIKey is XYORNDHNKBLWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-4-10(5-2)11-15-12(14)17-13(16-11)19-8-6-18(3)7-9-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine has a molecular weight of 264.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 155568016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).