1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine

C8H14N2 — CID 59355367

IUPAC1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine
SMILESC=C(C)N1CC=CCN1C
InChIInChI=1S/C8H14N2/c1-8(2)10-7-5-4-6-9(10)3/h4-5H,1,6-7H2,2-3H3
InChIKeyZYXRDBSWQBWYJG-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.24
Rot. Bonds1

About 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine

1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine (PubChem CID 59355367) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine.

Molecular Properties

Compound Name1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine
PubChem CID59355367
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine
SMILESC=C(C)N1CC=CCN1C
InChIInChI=1S/C8H14N2/c1-8(2)10-7-5-4-6-9(10)3/h4-5H,1,6-7H2,2-3H3
InChIKeyZYXRDBSWQBWYJG-UHFFFAOYSA-N
XLogP1.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine?
The IUPAC name of 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine (CID 59355367) is 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine.
What is the SMILES notation for 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine?
The canonical SMILES for 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine is C=C(C)N1CC=CCN1C.
What is the InChIKey of 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine?
The InChIKey is ZYXRDBSWQBWYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)10-7-5-4-6-9(10)3/h4-5H,1,6-7H2,2-3H3.
What are the key properties of 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine?
1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine has a molecular weight of 138.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine is sourced from PubChem (CID 59355367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).