4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal

C10H13N3O — CID 174484087

IUPAC4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal
SMILESCN(C)CC=C(C=O)c1cnccn1
InChIInChI=1S/C10H13N3O/c1-13(2)6-3-9(8-14)10-7-11-4-5-12-10/h3-5,7-8H,6H2,1-2H3
InChIKeyICHPIMMITZAHKA-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.62
Rot. Bonds4

About 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal

4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal (PubChem CID 174484087) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal.

Molecular Properties

Compound Name4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal
PubChem CID174484087
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal
SMILESCN(C)CC=C(C=O)c1cnccn1
InChIInChI=1S/C10H13N3O/c1-13(2)6-3-9(8-14)10-7-11-4-5-12-10/h3-5,7-8H,6H2,1-2H3
InChIKeyICHPIMMITZAHKA-UHFFFAOYSA-N
XLogP0.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-pyrazin-2-ylbut-2-en-1-one
CID 103453450
1-pyrazin-2-ylbut-2-en-1-one
CID 175484780
N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
CID 174432117
2-[(E)-1-chloroprop-1-en-2-yl]pyrazine
CID 154700299
N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 47112752
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
pyrazine-2-carbothioic S-acid
CID 87249006
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
2-(3-methoxyprop-1-en-2-yl)pyrazine
CID 67622452
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde
CID 87598831
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal?
The IUPAC name of 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal (CID 174484087) is 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal.
What is the SMILES notation for 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal?
The canonical SMILES for 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal is CN(C)CC=C(C=O)c1cnccn1.
What is the InChIKey of 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal?
The InChIKey is ICHPIMMITZAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(2)6-3-9(8-14)10-7-11-4-5-12-10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal?
4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal has a molecular weight of 191.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal is sourced from PubChem (CID 174484087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).