6-tert-butylpyridazine-3-carboximidamide

C9H14N4 — CID 89426391

IUPAC6-tert-butylpyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(C)(C)C)nn1
InChIInChI=1S/C9H14N4/c1-9(2,3)7-5-4-6(8(10)11)12-13-7/h4-5H,1-3H3,(H3,10,11)
InChIKeyMMXXFRQPWOTSDA-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.06
Rot. Bonds1

About 6-tert-butylpyridazine-3-carboximidamide

6-tert-butylpyridazine-3-carboximidamide (PubChem CID 89426391) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-tert-butylpyridazine-3-carboximidamide.

Molecular Properties

Compound Name6-tert-butylpyridazine-3-carboximidamide
PubChem CID89426391
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name6-tert-butylpyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(C)(C)C)nn1
InChIInChI=1S/C9H14N4/c1-9(2,3)7-5-4-6(8(10)11)12-13-7/h4-5H,1-3H3,(H3,10,11)
InChIKeyMMXXFRQPWOTSDA-UHFFFAOYSA-N
XLogP1.06
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-tert-butylpyridazine-3-carboximidamide?
The IUPAC name of 6-tert-butylpyridazine-3-carboximidamide (CID 89426391) is 6-tert-butylpyridazine-3-carboximidamide.
What is the SMILES notation for 6-tert-butylpyridazine-3-carboximidamide?
The canonical SMILES for 6-tert-butylpyridazine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(C)(C)C)nn1.
What is the InChIKey of 6-tert-butylpyridazine-3-carboximidamide?
The InChIKey is MMXXFRQPWOTSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-9(2,3)7-5-4-6(8(10)11)12-13-7/h4-5H,1-3H3,(H3,10,11).
What are the key properties of 6-tert-butylpyridazine-3-carboximidamide?
6-tert-butylpyridazine-3-carboximidamide has a molecular weight of 178.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyridazine-3-carboximidamide is sourced from PubChem (CID 89426391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).