5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline

C11H9FN6O — CID 114417709

IUPAC5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
SMILESCc1cc(Oc2cncc3nnnn23)c(F)cc1N
InChIInChI=1S/C11H9FN6O/c1-6-2-9(7(12)3-8(6)13)19-11-5-14-4-10-15-16-17-18(10)11/h2-5H,13H2,1H3
InChIKeyNIXWPYWCSVMUIF-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.34
Rot. Bonds2

About 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline

5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline (PubChem CID 114417709) has the molecular formula C11H9FN6O and a molecular weight of 260.23 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
PubChem CID114417709
Molecular FormulaC11H9FN6O
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Name5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
SMILESCc1cc(Oc2cncc3nnnn23)c(F)cc1N
InChIInChI=1S/C11H9FN6O/c1-6-2-9(7(12)3-8(6)13)19-11-5-14-4-10-15-16-17-18(10)11/h2-5H,13H2,1H3
InChIKeyNIXWPYWCSVMUIF-UHFFFAOYSA-N
XLogP1.34
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine
CID 83140613
5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine
CID 116525650
5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
CID 114417665
4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-fluoro-2-methylaniline
CID 114417467
4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
CID 114417661
5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 114417666
4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile
CID 114417635
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate
CID 81333635
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417599
4-(1,3-benzothiazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417456
3-(4-amino-2-fluoro-5-methylphenoxy)-1-cyclopropylpyrazin-2-one
CID 114417463

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
The IUPAC name of 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline (CID 114417709) is 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline.
What is the SMILES notation for 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
The canonical SMILES for 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline is Cc1cc(Oc2cncc3nnnn23)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
The InChIKey is NIXWPYWCSVMUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6O/c1-6-2-9(7(12)3-8(6)13)19-11-5-14-4-10-15-16-17-18(10)11/h2-5H,13H2,1H3.
What are the key properties of 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline has a molecular weight of 260.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline is sourced from PubChem (CID 114417709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).