N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine

C12H16N6 — CID 103204435

IUPACN-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine
SMILESCN1CCN(Nc2nnc3ccccc3n2)CC1
InChIInChI=1S/C12H16N6/c1-17-6-8-18(9-7-17)16-12-13-10-4-2-3-5-11(10)14-15-12/h2-5H,6-9H2,1H3,(H,13,15,16)
InChIKeyTVFCDVHTHDKXTO-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.60
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine

N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204435) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine
PubChem CID103204435
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine
SMILESCN1CCN(Nc2nnc3ccccc3n2)CC1
InChIInChI=1S/C12H16N6/c1-17-6-8-18(9-7-17)16-12-13-10-4-2-3-5-11(10)14-15-12/h2-5H,6-9H2,1H3,(H,13,15,16)
InChIKeyTVFCDVHTHDKXTO-UHFFFAOYSA-N
XLogP0.60
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-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 N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine (CID 103204435) is N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine is CN1CCN(Nc2nnc3ccccc3n2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine?
The InChIKey is TVFCDVHTHDKXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-17-6-8-18(9-7-17)16-12-13-10-4-2-3-5-11(10)14-15-12/h2-5H,6-9H2,1H3,(H,13,15,16).
What are the key properties of N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine?
N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine has a molecular weight of 244.30 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).