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

C9H8N4O — CID 170474926

IUPAC4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile
SMILESCOc1nc(C#CCC#N)cnc1N
InChIInChI=1S/C9H8N4O/c1-14-9-8(11)12-6-7(13-9)4-2-3-5-10/h6H,3H2,1H3,(H2,11,12)
InChIKeyBTMCEGZXVVZALI-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.33
Rot. Bonds1

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

4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile (PubChem CID 170474926) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile.

Molecular Properties

Compound Name4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile
PubChem CID170474926
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile
SMILESCOc1nc(C#CCC#N)cnc1N
InChIInChI=1S/C9H8N4O/c1-14-9-8(11)12-6-7(13-9)4-2-3-5-10/h6H,3H2,1H3,(H2,11,12)
InChIKeyBTMCEGZXVVZALI-UHFFFAOYSA-N
XLogP0.33
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-ynenitrile
CID 170474891
4-(1-methylimidazol-4-yl)but-3-ynenitrile
CID 170475830
3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
CID 169484738
4-(2-amino-4-methylphenyl)but-3-ynenitrile
CID 170474526
5-amino-6-methoxypyrazine-2,3-dicarbonitrile
CID 82254069
4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal
CID 170481977
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile
CID 170475878
4-[2-(dimethylamino)pyrimidin-5-yl]but-3-ynenitrile
CID 170474921
4-(3,4-dimethoxyphenyl)but-3-ynenitrile
CID 170475083
4-(5-bromopyrimidin-2-yl)but-3-ynenitrile
CID 170475834
2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine
CID 130268947
4-(4-amino-2-chlorophenyl)but-3-ynenitrile
CID 170474486

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile?
The IUPAC name of 4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile (CID 170474926) is 4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile.
What is the SMILES notation for 4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile?
The canonical SMILES for 4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile is COc1nc(C#CCC#N)cnc1N.
What is the InChIKey of 4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile?
The InChIKey is BTMCEGZXVVZALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-14-9-8(11)12-6-7(13-9)4-2-3-5-10/h6H,3H2,1H3,(H2,11,12).
What are the key properties of 4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile?
4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile has a molecular weight of 188.19 g/mol, XLogP of 0.33, 1 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-ynenitrile is sourced from PubChem (CID 170474926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).