4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine

C9H8F3N3O — CID 135040884

IUPAC4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine
SMILESCOc1c(F)c(F)c2c(N)n(C)nc2c1F
InChIInChI=1S/C9H8F3N3O/c1-15-9(13)3-4(10)5(11)8(16-2)6(12)7(3)14-15/h13H2,1-2H3
InChIKeyWHKGIFGHAQBVTG-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.58
Rot. Bonds1

About 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine

4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine (PubChem CID 135040884) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine.

Molecular Properties

Compound Name4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine
PubChem CID135040884
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine
SMILESCOc1c(F)c(F)c2c(N)n(C)nc2c1F
InChIInChI=1S/C9H8F3N3O/c1-15-9(13)3-4(10)5(11)8(16-2)6(12)7(3)14-15/h13H2,1-2H3
InChIKeyWHKGIFGHAQBVTG-UHFFFAOYSA-N
XLogP1.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4,5,7-Trifluoro-6-methoxy-2-methylindazole
CID 135016613
N-hydroxy-N'-(4,5,7-trifluoro-6-methoxy-1-methylindazol-3-yl)benzenecarboximidamide
CID 102030011
N'-(7-fluoro-6-methoxy-1-methylindazol-3-yl)-N-hydroxybenzenecarboximidamide
CID 102030013
6-(Difluoromethoxy)-1-methyl-1h-indazol-3-amine
CID 57476554
1-{[3-Fluoro-4-(methyloxy)phenyl]methyl}-4-(methyloxy)-1H-indazol-3-amine
CID 58054511
1-[[4-(Difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine
CID 66857272
1-[[4-(Difluoromethoxy)phenyl]methyl]-6-fluoroindazol-3-amine
CID 66857894
1-[[4-(Difluoromethoxy)phenyl]methyl]-7-fluoroindazol-3-amine
CID 66857959
1-[[4-(Difluoromethoxy)phenyl]methyl]indazol-3-amine
CID 66858122
6-Fluoro-1-[(4-methoxyphenyl)methyl]indazol-3-amine
CID 118472325
4-Methoxy-1-methyl-5-(2,2,2-trifluoroethyl)indazol-3-amine
CID 176150439
5-(2,2-Difluoro-1-methoxyethenyl)-4-methoxy-1-methylindazol-3-amine
CID 176150496

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine?
The IUPAC name of 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine (CID 135040884) is 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine.
What is the SMILES notation for 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine?
The canonical SMILES for 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine is COc1c(F)c(F)c2c(N)n(C)nc2c1F.
What is the InChIKey of 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine?
The InChIKey is WHKGIFGHAQBVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-15-9(13)3-4(10)5(11)8(16-2)6(12)7(3)14-15/h13H2,1-2H3.
What are the key properties of 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine?
4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine has a molecular weight of 231.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trifluoro-6-methoxy-2-methylindazol-3-amine is sourced from PubChem (CID 135040884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).