6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine

C14H19FN2 — CID 121391281

IUPAC6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine
SMILESCC#Cc1nnc(C(C)(C)C)cc1C(C)(C)F
InChIInChI=1S/C14H19FN2/c1-7-8-11-10(14(5,6)15)9-12(17-16-11)13(2,3)4/h9H,1-6H3
InChIKeySSAWFTKFNHVSSB-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.35
Rot. Bonds1

About 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine

6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine (PubChem CID 121391281) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine.

Molecular Properties

Compound Name6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine
PubChem CID121391281
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine
SMILESCC#Cc1nnc(C(C)(C)C)cc1C(C)(C)F
InChIInChI=1S/C14H19FN2/c1-7-8-11-10(14(5,6)15)9-12(17-16-11)13(2,3)4/h9H,1-6H3
InChIKeySSAWFTKFNHVSSB-UHFFFAOYSA-N
XLogP3.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.35
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

4-Methyl-3,6-bis(trifluoromethyl)pyridazine
CID 71374916
Pyridazine, 3,4,6-trimethyl-
CID 12440100
Pyridazine, 4-ethyl-3,6-dimethyl-
CID 143818473
1,2-Diazabenzocycloheptane, 3-methyl-
CID 101878952
3-Methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine
CID 86178150
3-Methyl-6-phenylpyridazine
CID 11378744
3,6-Ditert-butylpyridazine
CID 14451140
3-Tert-butyl-5,6,7,8-tetrahydrocinnoline
CID 121391274
2-Tert-butyl-2-[6-(1,1-dicyano-2,2-dimethyl-propyl)pyridazin-3-yl]propanedinitrile
CID 361636
6-Tert-butyl-3-chloro-4-(1-chloro-2-methylpropan-2-yl)pyridazine
CID 183705
Pyridazine, 4-(2-chloro-1,1-dimethylethyl)-3,6-dimethyl-
CID 183947
3-(3-Fluorophenyl)-6-methylpyridazine
CID 16743502

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine?
The IUPAC name of 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine (CID 121391281) is 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine.
What is the SMILES notation for 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine?
The canonical SMILES for 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine is CC#Cc1nnc(C(C)(C)C)cc1C(C)(C)F.
What is the InChIKey of 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine?
The InChIKey is SSAWFTKFNHVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-7-8-11-10(14(5,6)15)9-12(17-16-11)13(2,3)4/h9H,1-6H3.
What are the key properties of 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine?
6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine has a molecular weight of 234.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-prop-1-ynylpyridazine is sourced from PubChem (CID 121391281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).