6-methylidene-1-prop-2-ynylpyridazine

C8H8N2 — CID 123473401

IUPAC6-methylidene-1-prop-2-ynylpyridazine
SMILESC#CCN1N=CC=CC1=C
InChIInChI=1S/C8H8N2/c1-3-7-10-8(2)5-4-6-9-10/h1,4-6H,2,7H2
InChIKeyMDZBSCMILSZHRP-UHFFFAOYSA-N
MW132.17 g/mol
LogP0.99
Rot. Bonds1

About 6-methylidene-1-prop-2-ynylpyridazine

6-methylidene-1-prop-2-ynylpyridazine (PubChem CID 123473401) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 6-methylidene-1-prop-2-ynylpyridazine.

Molecular Properties

Compound Name6-methylidene-1-prop-2-ynylpyridazine
PubChem CID123473401
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name6-methylidene-1-prop-2-ynylpyridazine
SMILESC#CCN1N=CC=CC1=C
InChIInChI=1S/C8H8N2/c1-3-7-10-8(2)5-4-6-9-10/h1,4-6H,2,7H2
InChIKeyMDZBSCMILSZHRP-UHFFFAOYSA-N
XLogP0.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-6-methylidenepyridazine
CID 57558126
(Z)-N-(2-methyl-6-methylidene-1-pyridinyl)ethanimine
CID 88272988
(6Z)-1-methyl-6-prop-2-enylidenepyridazine
CID 88886126
6-Methylidene-1-propan-2-ylpyridazine
CID 89502125
2-hexa-2,4-dien-2-yl-1-methyl-3H-pyridazin-1-ium
CID 91147295
2-hexa-2,4-dien-2-yl-3H-pyridazine
CID 91540705
1-Hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine
CID 123312557
8-ethynyl-6H-pyrido[1,2-b]pyridazine
CID 123506481
1-Ethyl-6-methylidenepyridazine
CID 126604962
(Z)-N-[(2Z)-2-ethylidene-1-pyridinyl]ethanimine
CID 130370505
(Z)-N-(2-methylidene-1-pyridinyl)prop-2-en-1-imine
CID 131981905
1-Tert-butyl-6-methylidenepyridazine
CID 131997817

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1-prop-2-ynylpyridazine?
The IUPAC name of 6-methylidene-1-prop-2-ynylpyridazine (CID 123473401) is 6-methylidene-1-prop-2-ynylpyridazine.
What is the SMILES notation for 6-methylidene-1-prop-2-ynylpyridazine?
The canonical SMILES for 6-methylidene-1-prop-2-ynylpyridazine is C#CCN1N=CC=CC1=C.
What is the InChIKey of 6-methylidene-1-prop-2-ynylpyridazine?
The InChIKey is MDZBSCMILSZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-3-7-10-8(2)5-4-6-9-10/h1,4-6H,2,7H2.
What are the key properties of 6-methylidene-1-prop-2-ynylpyridazine?
6-methylidene-1-prop-2-ynylpyridazine has a molecular weight of 132.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1-prop-2-ynylpyridazine is sourced from PubChem (CID 123473401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).