5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile

C11H12N6 — CID 22449345

IUPAC5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile
SMILESCCCn1nc(-c2cnccn2)c(C#N)c1N
InChIInChI=1S/C11H12N6/c1-2-5-17-11(13)8(6-12)10(16-17)9-7-14-3-4-15-9/h3-4,7H,2,5,13H2,1H3
InChIKeyPXIQETFGBYFQDX-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.20
Rot. Bonds3

About 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile

5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile (PubChem CID 22449345) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile
PubChem CID22449345
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile
SMILESCCCn1nc(-c2cnccn2)c(C#N)c1N
InChIInChI=1S/C11H12N6/c1-2-5-17-11(13)8(6-12)10(16-17)9-7-14-3-4-15-9/h3-4,7H,2,5,13H2,1H3
InChIKeyPXIQETFGBYFQDX-UHFFFAOYSA-N
XLogP1.20
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile 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

1-propyl-3-pyrazin-2-ylpyrazol-4-amine
CID 83222398
5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
5-amino-3-[(4-chlorophenyl)methyl]-1-propylpyrazole-4-carbonitrile
CID 100762129
2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine
CID 121211545
5-methyl-2-propyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 80977225
5-amino-3-(naphthalen-1-ylmethyl)-1-propylpyrazole-4-carbonitrile
CID 100762155
5-amino-3-(3-ethoxy-4-methoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 68707523
5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 122194734
5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile
CID 102809211
1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine
CID 83222881
5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile
CID 102796021
1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine
CID 83222452

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile (CID 22449345) is 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile is CCCn1nc(-c2cnccn2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile?
The InChIKey is PXIQETFGBYFQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-2-5-17-11(13)8(6-12)10(16-17)9-7-14-3-4-15-9/h3-4,7H,2,5,13H2,1H3.
What are the key properties of 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile?
5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 22449345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).