(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium

C13H17FN3O+ — CID 140738709

IUPAC(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium
SMILESC[NH+](C)CC1OCCn2nc3cc(F)ccc3c21
InChIInChI=1S/C13H16FN3O/c1-16(2)8-12-13-10-4-3-9(14)7-11(10)15-17(13)5-6-18-12/h3-4,7,12H,5-6,8H2,1-2H3/p+1
InChIKeySHJWQMYQRWBVPN-UHFFFAOYSA-O
MW250.30 g/mol
LogP0.39
Rot. Bonds2

About (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium

(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium (PubChem CID 140738709) has the molecular formula C13H17FN3O+ and a molecular weight of 250.30 g/mol. Its IUPAC name is (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium.

Molecular Properties

Compound Name(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium
PubChem CID140738709
Molecular FormulaC13H17FN3O+
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium
SMILESC[NH+](C)CC1OCCn2nc3cc(F)ccc3c21
InChIInChI=1S/C13H16FN3O/c1-16(2)8-12-13-10-4-3-9(14)7-11(10)15-17(13)5-6-18-12/h3-4,7,12H,5-6,8H2,1-2H3/p+1
InChIKeySHJWQMYQRWBVPN-UHFFFAOYSA-O
XLogP0.39
TPSA31.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium?
The IUPAC name of (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium (CID 140738709) is (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium.
What is the SMILES notation for (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium?
The canonical SMILES for (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium is C[NH+](C)CC1OCCn2nc3cc(F)ccc3c21.
What is the InChIKey of (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium?
The InChIKey is SHJWQMYQRWBVPN-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H16FN3O/c1-16(2)8-12-13-10-4-3-9(14)7-11(10)15-17(13)5-6-18-12/h3-4,7,12H,5-6,8H2,1-2H3/p+1.
What are the key properties of (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium?
(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium has a molecular weight of 250.30 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl-dimethylazanium is sourced from PubChem (CID 140738709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).