3-methyl-6-[(E)-prop-1-enyl]pyridazine

C8H10N2 — CID 122702377

IUPAC3-methyl-6-[(E)-prop-1-enyl]pyridazine
SMILESC/C=C/c1ccc(C)nn1
InChIInChI=1S/C8H10N2/c1-3-4-8-6-5-7(2)9-10-8/h3-6H,1-2H3/b4-3+
InChIKeyPTEPLUPRBBUHSG-ONEGZZNKSA-N
MW134.18 g/mol
LogP1.82
Rot. Bonds1

About 3-methyl-6-[(E)-prop-1-enyl]pyridazine

3-methyl-6-[(E)-prop-1-enyl]pyridazine (PubChem CID 122702377) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-methyl-6-[(E)-prop-1-enyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[(E)-prop-1-enyl]pyridazine
PubChem CID122702377
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-methyl-6-[(E)-prop-1-enyl]pyridazine
SMILESC/C=C/c1ccc(C)nn1
InChIInChI=1S/C8H10N2/c1-3-4-8-6-5-7(2)9-10-8/h3-6H,1-2H3/b4-3+
InChIKeyPTEPLUPRBBUHSG-ONEGZZNKSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(E)-prop-1-enyl]pyridazine?
The IUPAC name of 3-methyl-6-[(E)-prop-1-enyl]pyridazine (CID 122702377) is 3-methyl-6-[(E)-prop-1-enyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[(E)-prop-1-enyl]pyridazine?
The canonical SMILES for 3-methyl-6-[(E)-prop-1-enyl]pyridazine is C/C=C/c1ccc(C)nn1.
What is the InChIKey of 3-methyl-6-[(E)-prop-1-enyl]pyridazine?
The InChIKey is PTEPLUPRBBUHSG-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-4-8-6-5-7(2)9-10-8/h3-6H,1-2H3/b4-3+.
What are the key properties of 3-methyl-6-[(E)-prop-1-enyl]pyridazine?
3-methyl-6-[(E)-prop-1-enyl]pyridazine has a molecular weight of 134.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(E)-prop-1-enyl]pyridazine is sourced from PubChem (CID 122702377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).