3-ethynylpyridazine

C6H4N2 — CID 66524480

IUPAC3-ethynylpyridazine
SMILESC#Cc1cccnn1
InChIInChI=1S/C6H4N2/c1-2-6-4-3-5-7-8-6/h1,3-5H
InChIKeyHHRXJQNSDKDSKP-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.46
Rot. Bonds

About 3-ethynylpyridazine

3-ethynylpyridazine (PubChem CID 66524480) has the molecular formula C6H4N2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 3-ethynylpyridazine.

Molecular Properties

Compound Name3-ethynylpyridazine
PubChem CID66524480
Molecular FormulaC6H4N2
Molecular Weight104.11 g/mol
Exact Mass104.04
IUPAC Name3-ethynylpyridazine
SMILESC#Cc1cccnn1
InChIInChI=1S/C6H4N2/c1-2-6-4-3-5-7-8-6/h1,3-5H
InChIKeyHHRXJQNSDKDSKP-UHFFFAOYSA-N
XLogP0.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.46
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

3-(2-phenylethynyl)pyridazine
CID 67754863
propane;3-prop-1-ynylpyridazine
CID 144710405
pyridazin-3-ylstannane
CID 87178968
2-ethynylpyridine;hydrate
CID 141238736
3-(trichloromethyl)pyridazine
CID 18471457
CID 102298125
CID 102298125
N-but-3-yn-2-ylpyridazin-3-amine
CID 114383010
3-bromopyridazine;hydrobromide
CID 53407768
N-pyridazin-3-ylpyridazin-3-amine
CID 90728152
3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
CID 6417966
ethane;pyridazin-3-amine
CID 123792295
1-pyridazin-3-yl-1,3,5-triazin-1-ium
CID 123936998

Frequently Asked Questions

What is the IUPAC name of 3-ethynylpyridazine?
The IUPAC name of 3-ethynylpyridazine (CID 66524480) is 3-ethynylpyridazine.
What is the SMILES notation for 3-ethynylpyridazine?
The canonical SMILES for 3-ethynylpyridazine is C#Cc1cccnn1.
What is the InChIKey of 3-ethynylpyridazine?
The InChIKey is HHRXJQNSDKDSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2/c1-2-6-4-3-5-7-8-6/h1,3-5H.
What are the key properties of 3-ethynylpyridazine?
3-ethynylpyridazine has a molecular weight of 104.11 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynylpyridazine is sourced from PubChem (CID 66524480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).