1-[(3-chloropyrazin-2-yl)amino]propan-2-one

C7H8ClN3O — CID 15149679

IUPAC1-[(3-chloropyrazin-2-yl)amino]propan-2-one
SMILESCC(=O)CNc1nccnc1Cl
InChIInChI=1S/C7H8ClN3O/c1-5(12)4-11-7-6(8)9-2-3-10-7/h2-3H,4H2,1H3,(H,10,11)
InChIKeyMPXHDJBYJOJPEO-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.13
Rot. Bonds3

About 1-[(3-chloropyrazin-2-yl)amino]propan-2-one

1-[(3-chloropyrazin-2-yl)amino]propan-2-one (PubChem CID 15149679) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 1-[(3-chloropyrazin-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[(3-chloropyrazin-2-yl)amino]propan-2-one
PubChem CID15149679
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name1-[(3-chloropyrazin-2-yl)amino]propan-2-one
SMILESCC(=O)CNc1nccnc1Cl
InChIInChI=1S/C7H8ClN3O/c1-5(12)4-11-7-6(8)9-2-3-10-7/h2-3H,4H2,1H3,(H,10,11)
InChIKeyMPXHDJBYJOJPEO-UHFFFAOYSA-N
XLogP1.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine
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2-(2-oxopropylamino)pyridine-3-carboxylic acid
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1-[(6-chloro-5-nitropyrimidin-4-yl)amino]propan-2-one
CID 154151713
N-(3-chloropyrazin-2-yl)but-2-ynamide
CID 107996159
N'-(3-chloropyrazin-2-yl)propanehydrazide
CID 127012228
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
acetic acid;1-[(3-methyl-2-pyridinyl)amino]propan-2-one;(3-methyl-2-pyridinyl)hydrazine;hydrochloride
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2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106341535
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CID 65122500

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloropyrazin-2-yl)amino]propan-2-one?
The IUPAC name of 1-[(3-chloropyrazin-2-yl)amino]propan-2-one (CID 15149679) is 1-[(3-chloropyrazin-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-[(3-chloropyrazin-2-yl)amino]propan-2-one?
The canonical SMILES for 1-[(3-chloropyrazin-2-yl)amino]propan-2-one is CC(=O)CNc1nccnc1Cl.
What is the InChIKey of 1-[(3-chloropyrazin-2-yl)amino]propan-2-one?
The InChIKey is MPXHDJBYJOJPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-5(12)4-11-7-6(8)9-2-3-10-7/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 1-[(3-chloropyrazin-2-yl)amino]propan-2-one?
1-[(3-chloropyrazin-2-yl)amino]propan-2-one has a molecular weight of 185.61 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloropyrazin-2-yl)amino]propan-2-one is sourced from PubChem (CID 15149679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).