5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile

C8H8N6 — CID 89011166

IUPAC5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2=NCC=CN2)c1N
InChIInChI=1S/C8H8N6/c9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h1-2,5H,3,10H2,(H,11,12)
InChIKeyJZYABGFMBPGKPS-UHFFFAOYSA-N
MW188.19 g/mol
LogP-0.34
Rot. Bonds

About 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile

5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile (PubChem CID 89011166) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile
PubChem CID89011166
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2=NCC=CN2)c1N
InChIInChI=1S/C8H8N6/c9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h1-2,5H,3,10H2,(H,11,12)
InChIKeyJZYABGFMBPGKPS-UHFFFAOYSA-N
XLogP-0.34
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile (CID 89011166) is 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile is N#Cc1cnn(C2=NCC=CN2)c1N.
What is the InChIKey of 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile?
The InChIKey is JZYABGFMBPGKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6/c9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h1-2,5H,3,10H2,(H,11,12).
What are the key properties of 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile has a molecular weight of 188.19 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,4-dihydropyrimidin-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 89011166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).