5-pyridazin-4-yl-1H-pyrazole-3,4-diamine

C7H8N6 — CID 91133662

IUPAC5-pyridazin-4-yl-1H-pyrazole-3,4-diamine
SMILESNc1n[nH]c(-c2ccnnc2)c1N
InChIInChI=1S/C7H8N6/c8-5-6(12-13-7(5)9)4-1-2-10-11-3-4/h1-3H,8H2,(H3,9,12,13)
InChIKeyLHCIZIORWACGND-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.03
Rot. Bonds1

About 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine

5-pyridazin-4-yl-1H-pyrazole-3,4-diamine (PubChem CID 91133662) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-pyridazin-4-yl-1H-pyrazole-3,4-diamine
PubChem CID91133662
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name5-pyridazin-4-yl-1H-pyrazole-3,4-diamine
SMILESNc1n[nH]c(-c2ccnnc2)c1N
InChIInChI=1S/C7H8N6/c8-5-6(12-13-7(5)9)4-1-2-10-11-3-4/h1-3H,8H2,(H3,9,12,13)
InChIKeyLHCIZIORWACGND-UHFFFAOYSA-N
XLogP0.03
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine (CID 91133662) is 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine is Nc1n[nH]c(-c2ccnnc2)c1N.
What is the InChIKey of 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine?
The InChIKey is LHCIZIORWACGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-5-6(12-13-7(5)9)4-1-2-10-11-3-4/h1-3H,8H2,(H3,9,12,13).
What are the key properties of 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine?
5-pyridazin-4-yl-1H-pyrazole-3,4-diamine has a molecular weight of 176.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridazin-4-yl-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 91133662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).