3-imidazol-1-ylpyridazine-4-carboximidamide

C8H8N6 — CID 80513473

IUPAC3-imidazol-1-ylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1-n1ccnc1
InChIInChI=1S/C8H8N6/c9-7(10)6-1-2-12-13-8(6)14-4-3-11-5-14/h1-5H,(H3,9,10)
InChIKeyNMEQNUCBJUIMEI-UHFFFAOYSA-N
MW188.19 g/mol
LogP-0.05
Rot. Bonds2

About 3-imidazol-1-ylpyridazine-4-carboximidamide

3-imidazol-1-ylpyridazine-4-carboximidamide (PubChem CID 80513473) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-imidazol-1-ylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-imidazol-1-ylpyridazine-4-carboximidamide
PubChem CID80513473
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name3-imidazol-1-ylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1-n1ccnc1
InChIInChI=1S/C8H8N6/c9-7(10)6-1-2-12-13-8(6)14-4-3-11-5-14/h1-5H,(H3,9,10)
InChIKeyNMEQNUCBJUIMEI-UHFFFAOYSA-N
XLogP-0.05
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpyridazine-4-carboximidamide?
The IUPAC name of 3-imidazol-1-ylpyridazine-4-carboximidamide (CID 80513473) is 3-imidazol-1-ylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-imidazol-1-ylpyridazine-4-carboximidamide?
The canonical SMILES for 3-imidazol-1-ylpyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1-n1ccnc1.
What is the InChIKey of 3-imidazol-1-ylpyridazine-4-carboximidamide?
The InChIKey is NMEQNUCBJUIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6/c9-7(10)6-1-2-12-13-8(6)14-4-3-11-5-14/h1-5H,(H3,9,10).
What are the key properties of 3-imidazol-1-ylpyridazine-4-carboximidamide?
3-imidazol-1-ylpyridazine-4-carboximidamide has a molecular weight of 188.19 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpyridazine-4-carboximidamide is sourced from PubChem (CID 80513473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).