5-amino-1-hydroxypyrazole-4-carbonitrile

C4H4N4O — CID 142825636

IUPAC5-amino-1-hydroxypyrazole-4-carbonitrile
SMILESN#Cc1cnn(O)c1N
InChIInChI=1S/C4H4N4O/c5-1-3-2-7-8(9)4(3)6/h2,9H,6H2
InChIKeyFTDKETQWLHWDPN-UHFFFAOYSA-N
MW124.10 g/mol
LogP-0.43
Rot. Bonds

About 5-amino-1-hydroxypyrazole-4-carbonitrile

5-amino-1-hydroxypyrazole-4-carbonitrile (PubChem CID 142825636) has the molecular formula C4H4N4O and a molecular weight of 124.10 g/mol. Its IUPAC name is 5-amino-1-hydroxypyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-hydroxypyrazole-4-carbonitrile
PubChem CID142825636
Molecular FormulaC4H4N4O
Molecular Weight124.10 g/mol
Exact Mass124.04
IUPAC Name5-amino-1-hydroxypyrazole-4-carbonitrile
SMILESN#Cc1cnn(O)c1N
InChIInChI=1S/C4H4N4O/c5-1-3-2-7-8(9)4(3)6/h2,9H,6H2
InChIKeyFTDKETQWLHWDPN-UHFFFAOYSA-N
XLogP-0.43
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-hydroxypyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-hydroxypyrazole-4-carbonitrile (CID 142825636) is 5-amino-1-hydroxypyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-hydroxypyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-hydroxypyrazole-4-carbonitrile is N#Cc1cnn(O)c1N.
What is the InChIKey of 5-amino-1-hydroxypyrazole-4-carbonitrile?
The InChIKey is FTDKETQWLHWDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O/c5-1-3-2-7-8(9)4(3)6/h2,9H,6H2.
What are the key properties of 5-amino-1-hydroxypyrazole-4-carbonitrile?
5-amino-1-hydroxypyrazole-4-carbonitrile has a molecular weight of 124.10 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-hydroxypyrazole-4-carbonitrile is sourced from PubChem (CID 142825636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).