5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile

C9H6N8O — CID 102229523

IUPAC5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)n2ncc(C#N)c2N)c1N
InChIInChI=1S/C9H6N8O/c10-1-5-3-14-16(7(5)12)9(18)17-8(13)6(2-11)4-15-17/h3-4H,12-13H2
InChIKeyIINLCKWRWDQHNU-UHFFFAOYSA-N
MW242.20 g/mol
LogP-0.50
Rot. Bonds

About 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile

5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile (PubChem CID 102229523) has the molecular formula C9H6N8O and a molecular weight of 242.20 g/mol. Its IUPAC name is 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile
PubChem CID102229523
Molecular FormulaC9H6N8O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)n2ncc(C#N)c2N)c1N
InChIInChI=1S/C9H6N8O/c10-1-5-3-14-16(7(5)12)9(18)17-8(13)6(2-11)4-15-17/h3-4H,12-13H2
InChIKeyIINLCKWRWDQHNU-UHFFFAOYSA-N
XLogP-0.50
TPSA152.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile (CID 102229523) is 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)n2ncc(C#N)c2N)c1N.
What is the InChIKey of 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile?
The InChIKey is IINLCKWRWDQHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N8O/c10-1-5-3-14-16(7(5)12)9(18)17-8(13)6(2-11)4-15-17/h3-4H,12-13H2.
What are the key properties of 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile?
5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile has a molecular weight of 242.20 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102229523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).