ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine

C10H16FN3 — CID 166076598

IUPACethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine
SMILESCC.CN1C=C2C(N)=CC=C(F)C2N1
InChIInChI=1S/C8H10FN3.C2H6/c1-12-4-5-7(10)3-2-6(9)8(5)11-12;1-2/h2-4,8,11H,10H2,1H3;1-2H3
InChIKeyLJKREJYPIMISDU-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.42
Rot. Bonds

About ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine

ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine (PubChem CID 166076598) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine.

Molecular Properties

Compound Nameethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine
PubChem CID166076598
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Nameethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine
SMILESCC.CN1C=C2C(N)=CC=C(F)C2N1
InChIInChI=1S/C8H10FN3.C2H6/c1-12-4-5-7(10)3-2-6(9)8(5)11-12;1-2/h2-4,8,11H,10H2,1H3;1-2H3
InChIKeyLJKREJYPIMISDU-UHFFFAOYSA-N
XLogP1.42
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-Difluoroethyl)-1,7a-dihydroindazol-5-amine
CID 163989332
(7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine
CID 176566847
3-fluoro-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 147857381
7-Fluoro-2-methyl-1,7a-dihydroindazol-4-amine
CID 166076599
3,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047454
6-Tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 59640649
1-Propan-2-yl-2,3,6,7-tetrahydroindazole
CID 60067164
6-Ethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 89033267
6-Methyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 89976888
3-Methyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 124130286
3-Tert-butyl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 126704211
3-Propyl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 135158445

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine?
The IUPAC name of ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine (CID 166076598) is ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine.
What is the SMILES notation for ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine?
The canonical SMILES for ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine is CC.CN1C=C2C(N)=CC=C(F)C2N1.
What is the InChIKey of ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine?
The InChIKey is LJKREJYPIMISDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3.C2H6/c1-12-4-5-7(10)3-2-6(9)8(5)11-12;1-2/h2-4,8,11H,10H2,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine?
ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine has a molecular weight of 197.26 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine is sourced from PubChem (CID 166076598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).