(3aR)-4-fluoro-3aH-indazol-3-amine

C7H6FN3 — CID 86306343

IUPAC(3aR)-4-fluoro-3aH-indazol-3-amine
SMILESNC1=NN=C2C=CC=C(F)[C@@H]12
InChIInChI=1S/C7H6FN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3,6H,(H2,9,11)/t6-/m1/s1
InChIKeyKHBNMZVBAARWRK-ZCFIWIBFSA-N
MW151.14 g/mol
LogP0.75
Rot. Bonds

About (3aR)-4-fluoro-3aH-indazol-3-amine

(3aR)-4-fluoro-3aH-indazol-3-amine (PubChem CID 86306343) has the molecular formula C7H6FN3 and a molecular weight of 151.14 g/mol. Its IUPAC name is (3aR)-4-fluoro-3aH-indazol-3-amine.

Molecular Properties

Compound Name(3aR)-4-fluoro-3aH-indazol-3-amine
PubChem CID86306343
Molecular FormulaC7H6FN3
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC Name(3aR)-4-fluoro-3aH-indazol-3-amine
SMILESNC1=NN=C2C=CC=C(F)[C@@H]12
InChIInChI=1S/C7H6FN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3,6H,(H2,9,11)/t6-/m1/s1
InChIKeyKHBNMZVBAARWRK-ZCFIWIBFSA-N
XLogP0.75
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR)-4-fluoro-3aH-indazol-3-amine?
The IUPAC name of (3aR)-4-fluoro-3aH-indazol-3-amine (CID 86306343) is (3aR)-4-fluoro-3aH-indazol-3-amine.
What is the SMILES notation for (3aR)-4-fluoro-3aH-indazol-3-amine?
The canonical SMILES for (3aR)-4-fluoro-3aH-indazol-3-amine is NC1=NN=C2C=CC=C(F)[C@@H]12.
What is the InChIKey of (3aR)-4-fluoro-3aH-indazol-3-amine?
The InChIKey is KHBNMZVBAARWRK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H6FN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3,6H,(H2,9,11)/t6-/m1/s1.
What are the key properties of (3aR)-4-fluoro-3aH-indazol-3-amine?
(3aR)-4-fluoro-3aH-indazol-3-amine has a molecular weight of 151.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-4-fluoro-3aH-indazol-3-amine is sourced from PubChem (CID 86306343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).