3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one

C10H13N3O — CID 3308641

IUPAC3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one
SMILESCc1nccnc1C(=O)C=CN(C)C
InChIInChI=1S/C10H13N3O/c1-8-10(12-6-5-11-8)9(14)4-7-13(2)3/h4-7H,1-3H3
InChIKeyFZTODTDOTLTNQL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.04
Rot. Bonds3

About 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one

3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one (PubChem CID 3308641) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one
PubChem CID3308641
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one
SMILESCc1nccnc1C(=O)C=CN(C)C
InChIInChI=1S/C10H13N3O/c1-8-10(12-6-5-11-8)9(14)4-7-13(2)3/h4-7H,1-3H3
InChIKeyFZTODTDOTLTNQL-UHFFFAOYSA-N
XLogP1.04
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(3-chloro-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one
CID 23537002
2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid
CID 155344012
bis(3-methylpyrazin-2-yl)methanone
CID 69473088
3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 714531
(E)-3-(dimethylamino)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 63750752
(E)-1-(3-amino-6-phenylpyrazin-2-yl)-3-(dimethylamino)prop-2-en-1-one
CID 58710587
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 19616589
(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)-3-(dimethylamino)prop-2-en-1-one
CID 17024621
(E)-3-(dimethylamino)-1-(2-hydroxy-4,5-dimethylphenyl)prop-2-en-1-one
CID 12535994
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
3-(dimethylamino)-1-(2,5-dimethylphenyl)prop-2-en-1-one
CID 57362091
(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one (CID 3308641) is 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one is Cc1nccnc1C(=O)C=CN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one?
The InChIKey is FZTODTDOTLTNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-10(12-6-5-11-8)9(14)4-7-13(2)3/h4-7H,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one?
3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 3308641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).