6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine

C10H10FN5O — CID 86704468

IUPAC6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine
SMILESCC1(C)Oc2c(F)cc(N)cc2-n2nnnc21
InChIInChI=1S/C10H10FN5O/c1-10(2)9-13-14-15-16(9)7-4-5(12)3-6(11)8(7)17-10/h3-4H,12H2,1-2H3
InChIKeyULMRQZPJXGQSIT-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.01
Rot. Bonds

About 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine

6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine (PubChem CID 86704468) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine.

Molecular Properties

Compound Name6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine
PubChem CID86704468
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine
SMILESCC1(C)Oc2c(F)cc(N)cc2-n2nnnc21
InChIInChI=1S/C10H10FN5O/c1-10(2)9-13-14-15-16(9)7-4-5(12)3-6(11)8(7)17-10/h3-4H,12H2,1-2H3
InChIKeyULMRQZPJXGQSIT-UHFFFAOYSA-N
XLogP1.01
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine?
The IUPAC name of 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine (CID 86704468) is 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine.
What is the SMILES notation for 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine?
The canonical SMILES for 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine is CC1(C)Oc2c(F)cc(N)cc2-n2nnnc21.
What is the InChIKey of 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine?
The InChIKey is ULMRQZPJXGQSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-10(2)9-13-14-15-16(9)7-4-5(12)3-6(11)8(7)17-10/h3-4H,12H2,1-2H3.
What are the key properties of 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine?
6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine has a molecular weight of 235.22 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,4-dimethyltetrazolo[5,1-c][1,4]benzoxazin-8-amine is sourced from PubChem (CID 86704468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).