1-pyridazin-4-ylpyrazole-4,5-diamine

C7H8N6 — CID 22062217

IUPAC1-pyridazin-4-ylpyrazole-4,5-diamine
SMILESNc1cnn(-c2ccnnc2)c1N
InChIInChI=1S/C7H8N6/c8-6-4-12-13(7(6)9)5-1-2-10-11-3-5/h1-4H,8-9H2
InChIKeyCLTRKGKTPHVNDU-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.17
Rot. Bonds1

About 1-pyridazin-4-ylpyrazole-4,5-diamine

1-pyridazin-4-ylpyrazole-4,5-diamine (PubChem CID 22062217) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-pyridazin-4-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-pyridazin-4-ylpyrazole-4,5-diamine
PubChem CID22062217
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name1-pyridazin-4-ylpyrazole-4,5-diamine
SMILESNc1cnn(-c2ccnnc2)c1N
InChIInChI=1S/C7H8N6/c8-6-4-12-13(7(6)9)5-1-2-10-11-3-5/h1-4H,8-9H2
InChIKeyCLTRKGKTPHVNDU-UHFFFAOYSA-N
XLogP-0.17
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-pyridazin-4-ylpyrazole-4,5-diamine 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 1-pyridazin-4-ylpyrazole-4,5-diamine?
The IUPAC name of 1-pyridazin-4-ylpyrazole-4,5-diamine (CID 22062217) is 1-pyridazin-4-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-pyridazin-4-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-pyridazin-4-ylpyrazole-4,5-diamine is Nc1cnn(-c2ccnnc2)c1N.
What is the InChIKey of 1-pyridazin-4-ylpyrazole-4,5-diamine?
The InChIKey is CLTRKGKTPHVNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-6-4-12-13(7(6)9)5-1-2-10-11-3-5/h1-4H,8-9H2.
What are the key properties of 1-pyridazin-4-ylpyrazole-4,5-diamine?
1-pyridazin-4-ylpyrazole-4,5-diamine has a molecular weight of 176.18 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-ylpyrazole-4,5-diamine is sourced from PubChem (CID 22062217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).