(7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine

C9H12FN3 — CID 176566847

IUPAC(7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine
SMILESCN1C=C2C=C(N)C=C(F)[C@@]2(C)N1
InChIInChI=1S/C9H12FN3/c1-9-6(5-13(2)12-9)3-7(11)4-8(9)10/h3-5,12H,11H2,1-2H3/t9-/m0/s1
InChIKeyVHZPBHQGQLNAHT-VIFPVBQESA-N
MW181.21 g/mol
LogP0.79
Rot. Bonds

About (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine

(7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine (PubChem CID 176566847) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine.

Molecular Properties

Compound Name(7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine
PubChem CID176566847
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name(7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine
SMILESCN1C=C2C=C(N)C=C(F)[C@@]2(C)N1
InChIInChI=1S/C9H12FN3/c1-9-6(5-13(2)12-9)3-7(11)4-8(9)10/h3-5,12H,11H2,1-2H3/t9-/m0/s1
InChIKeyVHZPBHQGQLNAHT-VIFPVBQESA-N
XLogP0.79
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2-Dihydrotriazol-3-yl)-4-fluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 118130144
2-(2,2-Difluoroethyl)-1,7a-dihydroindazol-5-amine
CID 163989332
3-fluoro-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 147857381
7-Fluoro-2-methyl-1,7a-dihydroindazol-4-amine
CID 166076599
2,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047670
2-Propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 69017494
5-cyclohexa-1,5-dien-1-yl-2,3-dimethyl-1H-triazole
CID 163702474
Ethane;7-fluoro-2-methyl-1,7a-dihydroindazol-4-amine
CID 166076598
3,6-Dimethyl-1,2-dihydrotriazolo[1,5-a]pyridine
CID 166898121
2,6-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 166920745
5-Propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 167146814
5,6,6-Trimethylpyridine-1,3-diamine
CID 174593945

Frequently Asked Questions

What is the IUPAC name of (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine?
The IUPAC name of (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine (CID 176566847) is (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine.
What is the SMILES notation for (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine?
The canonical SMILES for (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine is CN1C=C2C=C(N)C=C(F)[C@@]2(C)N1.
What is the InChIKey of (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine?
The InChIKey is VHZPBHQGQLNAHT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12FN3/c1-9-6(5-13(2)12-9)3-7(11)4-8(9)10/h3-5,12H,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine?
(7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine has a molecular weight of 181.21 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-7-fluoro-2,7a-dimethyl-1H-indazol-5-amine is sourced from PubChem (CID 176566847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).