5-(1H-imidazol-2-yl)pyridazine-3,4-diamine

C7H8N6 — CID 141004514

IUPAC5-(1H-imidazol-2-yl)pyridazine-3,4-diamine
SMILESNc1nncc(-c2ncc[nH]2)c1N
InChIInChI=1S/C7H8N6/c8-5-4(3-12-13-6(5)9)7-10-1-2-11-7/h1-3H,(H2,8,12)(H2,9,13)(H,10,11)
InChIKeyQJQUOONUVHVQBZ-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.03
Rot. Bonds1

About 5-(1H-imidazol-2-yl)pyridazine-3,4-diamine

5-(1H-imidazol-2-yl)pyridazine-3,4-diamine (PubChem CID 141004514) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)pyridazine-3,4-diamine
PubChem CID141004514
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name5-(1H-imidazol-2-yl)pyridazine-3,4-diamine
SMILESNc1nncc(-c2ncc[nH]2)c1N
InChIInChI=1S/C7H8N6/c8-5-4(3-12-13-6(5)9)7-10-1-2-11-7/h1-3H,(H2,8,12)(H2,9,13)(H,10,11)
InChIKeyQJQUOONUVHVQBZ-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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Related Compounds

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2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole
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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)pyridazine-3,4-diamine?
The IUPAC name of 5-(1H-imidazol-2-yl)pyridazine-3,4-diamine (CID 141004514) is 5-(1H-imidazol-2-yl)pyridazine-3,4-diamine.
What is the SMILES notation for 5-(1H-imidazol-2-yl)pyridazine-3,4-diamine?
The canonical SMILES for 5-(1H-imidazol-2-yl)pyridazine-3,4-diamine is Nc1nncc(-c2ncc[nH]2)c1N.
What is the InChIKey of 5-(1H-imidazol-2-yl)pyridazine-3,4-diamine?
The InChIKey is QJQUOONUVHVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-5-4(3-12-13-6(5)9)7-10-1-2-11-7/h1-3H,(H2,8,12)(H2,9,13)(H,10,11).
What are the key properties of 5-(1H-imidazol-2-yl)pyridazine-3,4-diamine?
5-(1H-imidazol-2-yl)pyridazine-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-(1H-imidazol-2-yl)pyridazine-3,4-diamine is sourced from PubChem (CID 141004514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).