3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine

C8H13FN2 — CID 177039274

IUPAC3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine
SMILESCC1=CC(C(C)C)=C(F)NN1
InChIInChI=1S/C8H13FN2/c1-5(2)7-4-6(3)10-11-8(7)9/h4-5,10-11H,1-3H3
InChIKeyYTQPCWQGJKPUKC-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.84
Rot. Bonds1

About 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine

3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine (PubChem CID 177039274) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine.

Molecular Properties

Compound Name3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine
PubChem CID177039274
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine
SMILESCC1=CC(C(C)C)=C(F)NN1
InChIInChI=1S/C8H13FN2/c1-5(2)7-4-6(3)10-11-8(7)9/h4-5,10-11H,1-3H3
InChIKeyYTQPCWQGJKPUKC-UHFFFAOYSA-N
XLogP1.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[4-(Fluoromethyl)cyclohexa-1,3-dien-1-yl]hydrazine
CID 57861954
[(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine
CID 89153918
(4-Fluorocyclohexa-1,3-dien-1-yl)hydrazine
CID 90361119
[3-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]hydrazine
CID 141911656
(6-Fluoro-2-methylcyclohepta-1,4,6-trien-1-yl)hydrazine
CID 143119737
ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine
CID 143772148
[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine
CID 143782177
[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]hydrazine
CID 144097644
3-Ethyl-6-fluoro-4-methyl-1,2-dihydropyridazine
CID 146392507
3-Fluoro-6-propan-2-yl-1,2-dihydropyridazine
CID 146392527
6-Fluoro-4-methyl-3-propan-2-yl-1,2-dihydropyridazine
CID 146392568
[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]hydrazine
CID 156837174

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine?
The IUPAC name of 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine (CID 177039274) is 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine.
What is the SMILES notation for 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine?
The canonical SMILES for 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine is CC1=CC(C(C)C)=C(F)NN1.
What is the InChIKey of 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine?
The InChIKey is YTQPCWQGJKPUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-5(2)7-4-6(3)10-11-8(7)9/h4-5,10-11H,1-3H3.
What are the key properties of 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine?
3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine has a molecular weight of 156.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridazine is sourced from PubChem (CID 177039274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).