1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine

C11H16N2 — CID 143842653

IUPAC1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine
SMILESC=CN1N=C(CCC)C=C(C)C1=C
InChIInChI=1S/C11H16N2/c1-5-7-11-8-9(3)10(4)13(6-2)12-11/h6,8H,2,4-5,7H2,1,3H3
InChIKeyRRVPYTCJNQOJDI-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.06
Rot. Bonds3

About 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine

1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine (PubChem CID 143842653) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine.

Molecular Properties

Compound Name1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine
PubChem CID143842653
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine
SMILESC=CN1N=C(CCC)C=C(C)C1=C
InChIInChI=1S/C11H16N2/c1-5-7-11-8-9(3)10(4)13(6-2)12-11/h6,8H,2,4-5,7H2,1,3H3
InChIKeyRRVPYTCJNQOJDI-UHFFFAOYSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine
CID 123274532
1,3,4,5-Tetramethyl-6-methylidenepyridazine
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3-but-1-en-2-yl-2H-pyrazolo[1,5-a]pyridin-2-ide;tungsten;vanadium
CID 57837503
1-Methyl-6-methylidene-3-propan-2-ylpyridazine
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3-Tert-butyl-1-methyl-6-methylidenepyridazine
CID 58386253
1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine
CID 89088583
1,3,5-Trimethyl-6-methylidenepyridazine
CID 89576332
2-Methyl-2-(2-methylpropyl)indazol-2-ium
CID 91165767
Ethane;5-methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 91443773
2,5-Dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 123536790
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CID 123729667

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine?
The IUPAC name of 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine (CID 143842653) is 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine.
What is the SMILES notation for 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine?
The canonical SMILES for 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine is C=CN1N=C(CCC)C=C(C)C1=C.
What is the InChIKey of 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine?
The InChIKey is RRVPYTCJNQOJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-7-11-8-9(3)10(4)13(6-2)12-11/h6,8H,2,4-5,7H2,1,3H3.
What are the key properties of 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine?
1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine has a molecular weight of 176.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-methyl-6-methylidene-3-propylpyridazine is sourced from PubChem (CID 143842653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).