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

C9H16N6 — CID 70995135

IUPAC6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCc1nnc(N2CCN(C)CC2)nc1N
InChIInChI=1S/C9H16N6/c1-7-8(10)11-9(13-12-7)15-5-3-14(2)4-6-15/h3-6H2,1-2H3,(H2,10,11,13)
InChIKeyDBMKYYNYCRLPOK-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.49
Rot. Bonds1

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

6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 70995135) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID70995135
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCc1nnc(N2CCN(C)CC2)nc1N
InChIInChI=1S/C9H16N6/c1-7-8(10)11-9(13-12-7)15-5-3-14(2)4-6-15/h3-6H2,1-2H3,(H2,10,11,13)
InChIKeyDBMKYYNYCRLPOK-UHFFFAOYSA-N
XLogP-0.49
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 70995135) is 6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is Cc1nnc(N2CCN(C)CC2)nc1N.
What is the InChIKey of 6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is DBMKYYNYCRLPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-7-8(10)11-9(13-12-7)15-5-3-14(2)4-6-15/h3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 208.27 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 70995135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).