6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine

C10H10N2 — CID 155229004

IUPAC6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine
SMILESC#C/C(=C/C)N1N=CC=CC1=C
InChIInChI=1S/C10H10N2/c1-4-10(5-2)12-9(3)7-6-8-11-12/h1,5-8H,3H2,2H3/b10-5-
InChIKeyKJWUZMZLXWQWJG-YHYXMXQVSA-N
MW158.20 g/mol
LogP1.89
Rot. Bonds1

About 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine

6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine (PubChem CID 155229004) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine.

Molecular Properties

Compound Name6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine
PubChem CID155229004
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine
SMILESC#C/C(=C/C)N1N=CC=CC1=C
InChIInChI=1S/C10H10N2/c1-4-10(5-2)12-9(3)7-6-8-11-12/h1,5-8H,3H2,2H3/b10-5-
InChIKeyKJWUZMZLXWQWJG-YHYXMXQVSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine?
The IUPAC name of 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine (CID 155229004) is 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine.
What is the SMILES notation for 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine?
The canonical SMILES for 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine is C#C/C(=C/C)N1N=CC=CC1=C.
What is the InChIKey of 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine?
The InChIKey is KJWUZMZLXWQWJG-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H10N2/c1-4-10(5-2)12-9(3)7-6-8-11-12/h1,5-8H,3H2,2H3/b10-5-.
What are the key properties of 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine?
6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine has a molecular weight of 158.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine is sourced from PubChem (CID 155229004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).