4-methanimidoylpyridazine-3,5-diamine

C5H7N5 — CID 89356151

IUPAC4-methanimidoylpyridazine-3,5-diamine
SMILES[H]/N=C/c1c(N)cnnc1N
InChIInChI=1S/C5H7N5/c6-1-3-4(7)2-9-10-5(3)8/h1-2,6H,(H4,7,8,10)/b6-1+
InChIKeyFCUKBEQNQBOYLB-LZCJLJQNSA-N
MW137.15 g/mol
LogP-0.36
Rot. Bonds1

About 4-methanimidoylpyridazine-3,5-diamine

4-methanimidoylpyridazine-3,5-diamine (PubChem CID 89356151) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 4-methanimidoylpyridazine-3,5-diamine.

Molecular Properties

Compound Name4-methanimidoylpyridazine-3,5-diamine
PubChem CID89356151
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name4-methanimidoylpyridazine-3,5-diamine
SMILES[H]/N=C/c1c(N)cnnc1N
InChIInChI=1S/C5H7N5/c6-1-3-4(7)2-9-10-5(3)8/h1-2,6H,(H4,7,8,10)/b6-1+
InChIKeyFCUKBEQNQBOYLB-LZCJLJQNSA-N
XLogP-0.36
TPSA101.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methanimidoylpyridazine-3,5-diamine?
The IUPAC name of 4-methanimidoylpyridazine-3,5-diamine (CID 89356151) is 4-methanimidoylpyridazine-3,5-diamine.
What is the SMILES notation for 4-methanimidoylpyridazine-3,5-diamine?
The canonical SMILES for 4-methanimidoylpyridazine-3,5-diamine is [H]/N=C/c1c(N)cnnc1N.
What is the InChIKey of 4-methanimidoylpyridazine-3,5-diamine?
The InChIKey is FCUKBEQNQBOYLB-LZCJLJQNSA-N. The full InChI is InChI=1S/C5H7N5/c6-1-3-4(7)2-9-10-5(3)8/h1-2,6H,(H4,7,8,10)/b6-1+.
What are the key properties of 4-methanimidoylpyridazine-3,5-diamine?
4-methanimidoylpyridazine-3,5-diamine has a molecular weight of 137.15 g/mol, XLogP of -0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylpyridazine-3,5-diamine is sourced from PubChem (CID 89356151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).