2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde

C9H13N3O — CID 87598831

IUPAC2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde
SMILESCC(c1cnccn1)N(C)CC=O
InChIInChI=1S/C9H13N3O/c1-8(12(2)5-6-13)9-7-10-3-4-11-9/h3-4,6-8H,5H2,1-2H3
InChIKeyXGKSJSVKUOUNKJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.67
Rot. Bonds4

About 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde

2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde (PubChem CID 87598831) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde
PubChem CID87598831
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde
SMILESCC(c1cnccn1)N(C)CC=O
InChIInChI=1S/C9H13N3O/c1-8(12(2)5-6-13)9-7-10-3-4-11-9/h3-4,6-8H,5H2,1-2H3
InChIKeyXGKSJSVKUOUNKJ-UHFFFAOYSA-N
XLogP0.67
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-methyl-1-pyrazin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 129426014
2-amino-N-methyl-N-[(1R)-1-pyrazin-2-ylethyl]acetamide
CID 96555406
N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-4-amine
CID 86329861
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
CID 87610344
2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid
CID 65241026
1-pyrazin-2-ylethylphosphane
CID 59073972
2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid
CID 96555431
(1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide
CID 97175214
tert-butyl 4-[[methyl-[(1S)-1-pyrazin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175389
2-[cyclopropyl-[(1R)-1-pyrazin-2-ylethyl]amino]ethanol
CID 96555165
2-(2-bromopentan-3-yl)pyrazine
CID 63203717
2-bromo-2-pyrazin-2-ylacetaldehyde
CID 87311321

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde?
The IUPAC name of 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde (CID 87598831) is 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde.
What is the SMILES notation for 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde?
The canonical SMILES for 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde is CC(c1cnccn1)N(C)CC=O.
What is the InChIKey of 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde?
The InChIKey is XGKSJSVKUOUNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-8(12(2)5-6-13)9-7-10-3-4-11-9/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde?
2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde is sourced from PubChem (CID 87598831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).