3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine

C9H10Cl2N6O — CID 162224873

IUPAC3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine
SMILESCc1ncc(Cl)nc1N.Nc1nc(Cl)c[nH]c1=O
InChIInChI=1S/C5H6ClN3.C4H4ClN3O/c1-3-5(7)9-4(6)2-8-3;5-2-1-7-4(9)3(6)8-2/h2H,1H3,(H2,7,9);1H,(H2,6,8)(H,7,9)
InChIKeyZUPRFDFEUVIYQK-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.03
Rot. Bonds

About 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine

3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine (PubChem CID 162224873) has the molecular formula C9H10Cl2N6O and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine
PubChem CID162224873
Molecular FormulaC9H10Cl2N6O
Molecular Weight289.13 g/mol
Exact Mass288.03
IUPAC Name3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine
SMILESCc1ncc(Cl)nc1N.Nc1nc(Cl)c[nH]c1=O
InChIInChI=1S/C5H6ClN3.C4H4ClN3O/c1-3-5(7)9-4(6)2-8-3;5-2-1-7-4(9)3(6)8-2/h2H,1H3,(H2,7,9);1H,(H2,6,8)(H,7,9)
InChIKeyZUPRFDFEUVIYQK-UHFFFAOYSA-N
XLogP1.03
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3-methylpyrazin-2-amine
CID 53424289
3-amino-5-methoxy-1H-pyrazin-2-one
CID 168950530
3-methyl-6-prop-1-en-2-ylpyrazin-2-amine
CID 174159333
3-amino-5-chloropyrazine-2-carboxylic acid
CID 53418769
2-chloro-7-methyl-5H-pyrrolo[2,3-b]pyrazine;ethane;methanamine
CID 142547373
6-chloro-3-(trifluoromethyl)pyrazin-2-amine
CID 134818825
butyl 5-chloro-2-oxo-1H-pyrazine-3-carboxylate
CID 91884494
3-amino-5-chloro-1H-pyrazine-2-thione;2-ethylhexyl 3-(3-amino-5-chloropyrazin-2-yl)sulfanylpropanoate
CID 163539922
4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide
CID 164969463
(3-amino-5-chloropyrazin-2-yl)methyl formate
CID 174712769
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
4,6-dichloro-2H-2,7-naphthyridin-1-one
CID 134830487

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine?
The IUPAC name of 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine (CID 162224873) is 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine.
What is the SMILES notation for 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine?
The canonical SMILES for 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine is Cc1ncc(Cl)nc1N.Nc1nc(Cl)c[nH]c1=O.
What is the InChIKey of 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine?
The InChIKey is ZUPRFDFEUVIYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3.C4H4ClN3O/c1-3-5(7)9-4(6)2-8-3;5-2-1-7-4(9)3(6)8-2/h2H,1H3,(H2,7,9);1H,(H2,6,8)(H,7,9).
What are the key properties of 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine?
3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine has a molecular weight of 289.13 g/mol, XLogP of 1.03, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-1H-pyrazin-2-one;6-chloro-3-methylpyrazin-2-amine is sourced from PubChem (CID 162224873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).