4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one

C9H13N5O — CID 80652532

IUPAC4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1cnc(N)cn1
InChIInChI=1S/C9H13N5O/c1-6-9(15)11-2-3-14(6)8-5-12-7(10)4-13-8/h4-6H,2-3H2,1H3,(H2,10,12)(H,11,15)
InChIKeyHKTPJLANUVEJFP-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.62
Rot. Bonds1

About 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one

4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one (PubChem CID 80652532) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one
PubChem CID80652532
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1cnc(N)cn1
InChIInChI=1S/C9H13N5O/c1-6-9(15)11-2-3-14(6)8-5-12-7(10)4-13-8/h4-6H,2-3H2,1H3,(H2,10,12)(H,11,15)
InChIKeyHKTPJLANUVEJFP-UHFFFAOYSA-N
XLogP-0.62
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-iodopyrimidin-2-yl)-3-methylpiperazin-2-one
CID 104844062
4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one
CID 63595218
4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one
CID 83118479
methyl 6-(2-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449155
4-[4-amino-2-(difluoromethyl)phenyl]-3-methylpiperazin-2-one
CID 63735832
4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
CID 115939614
5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine
CID 80652917
4-(7-amino-2,1,3-benzoxadiazol-4-yl)-3-methylpiperazin-2-one
CID 63595617
5-bromo-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
CID 63606105
4-fluoro-3-methylpiperazin-2-one
CID 144979166
4-[4-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 55216894
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one
CID 63607199

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one (CID 80652532) is 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1c1cnc(N)cn1.
What is the InChIKey of 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one?
The InChIKey is HKTPJLANUVEJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-9(15)11-2-3-14(6)8-5-12-7(10)4-13-8/h4-6H,2-3H2,1H3,(H2,10,12)(H,11,15).
What are the key properties of 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one?
4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one has a molecular weight of 207.24 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopyrazin-2-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 80652532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).