4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal

C9H11N3O2 — CID 170481977

IUPAC4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal
SMILESCOc1nc(C=CCC=O)cnc1N
InChIInChI=1S/C9H11N3O2/c1-14-9-8(10)11-6-7(12-9)4-2-3-5-13/h2,4-6H,3H2,1H3,(H2,10,11)
InChIKeyBCEVGPJQUUJBEW-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.67
Rot. Bonds4

About 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal

4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal (PubChem CID 170481977) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal.

Molecular Properties

Compound Name4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal
PubChem CID170481977
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal
SMILESCOc1nc(C=CCC=O)cnc1N
InChIInChI=1S/C9H11N3O2/c1-14-9-8(10)11-6-7(12-9)4-2-3-5-13/h2,4-6H,3H2,1H3,(H2,10,11)
InChIKeyBCEVGPJQUUJBEW-UHFFFAOYSA-N
XLogP0.67
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate
CID 170798601
4-(6-methoxypyridazin-3-yl)but-3-enal
CID 170481536
3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol
CID 169452977
methyl 6-(3-acetylsulfanylprop-1-enyl)-3-aminopyrazine-2-carboxylate
CID 169457903
4-(5,6-diamino-2-methyl-3-pyridinyl)but-3-enal
CID 170481971
2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile
CID 170481970
4-(3-amino-5-methyl-2-pyridinyl)but-3-enal
CID 170481520
4-(6-amino-4-methyl-5-nitro-3-pyridinyl)but-3-enal
CID 170482542
5-(4-chlorobut-1-enyl)-3-methoxypyridin-2-amine
CID 170499115
ethyl 3-(5-amino-6-methoxypyrazin-2-yl)-2,3-dihydroxypropanoate
CID 171866243
4-(6-amino-4-methyl-3-pyridinyl)but-3-enal
CID 170481525
5-ethenyl-2,3-dimethoxypyrazine
CID 163871924

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal?
The IUPAC name of 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal (CID 170481977) is 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal.
What is the SMILES notation for 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal?
The canonical SMILES for 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal is COc1nc(C=CCC=O)cnc1N.
What is the InChIKey of 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal?
The InChIKey is BCEVGPJQUUJBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-14-9-8(10)11-6-7(12-9)4-2-3-5-13/h2,4-6H,3H2,1H3,(H2,10,11).
What are the key properties of 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal?
4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal has a molecular weight of 193.21 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal is sourced from PubChem (CID 170481977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).