N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine

C13H24N6 — CID 112945834

IUPACN-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCCCCN(C)c1nncc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H24N6/c1-4-5-6-18(3)13-15-12(11-14-16-13)19-9-7-17(2)8-10-19/h11H,4-10H2,1-3H3
InChIKeyKTTWQZCUWKBUQL-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.86
Rot. Bonds5

About N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine

N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112945834) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112945834
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC NameN-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCCCCN(C)c1nncc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H24N6/c1-4-5-6-18(3)13-15-12(11-14-16-13)19-9-7-17(2)8-10-19/h11H,4-10H2,1-3H3
InChIKeyKTTWQZCUWKBUQL-UHFFFAOYSA-N
XLogP0.86
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112945834) is N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine is CCCCN(C)c1nncc(N2CCN(C)CC2)n1.
What is the InChIKey of N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is KTTWQZCUWKBUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-4-5-6-18(3)13-15-12(11-14-16-13)19-9-7-17(2)8-10-19/h11H,4-10H2,1-3H3.
What are the key properties of N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 264.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112945834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).