[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine

C11H17N7 — CID 80506375

IUPAC[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine
SMILESCN1CCN(c2nccn3cnnc23)C(CN)C1
InChIInChI=1S/C11H17N7/c1-16-4-5-18(9(6-12)7-16)10-11-15-14-8-17(11)3-2-13-10/h2-3,8-9H,4-7,12H2,1H3
InChIKeyWMZJSDPITBLSDD-UHFFFAOYSA-N
MW247.31 g/mol
LogP-0.80
Rot. Bonds2

About [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine

[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine (PubChem CID 80506375) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine
PubChem CID80506375
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine
SMILESCN1CCN(c2nccn3cnnc23)C(CN)C1
InChIInChI=1S/C11H17N7/c1-16-4-5-18(9(6-12)7-16)10-11-15-14-8-17(11)3-2-13-10/h2-3,8-9H,4-7,12H2,1H3
InChIKeyWMZJSDPITBLSDD-UHFFFAOYSA-N
XLogP-0.80
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine 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-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine (CID 80506375) is [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine is CN1CCN(c2nccn3cnnc23)C(CN)C1.
What is the InChIKey of [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine?
The InChIKey is WMZJSDPITBLSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-16-4-5-18(9(6-12)7-16)10-11-15-14-8-17(11)3-2-13-10/h2-3,8-9H,4-7,12H2,1H3.
What are the key properties of [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine?
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine has a molecular weight of 247.31 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80506375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).