2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline

C13H16FN5O2 — CID 104765235

IUPAC2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
SMILESCOC1(Cn2nnnc2-c2ccc(F)c(N)c2)CCOC1
InChIInChI=1S/C13H16FN5O2/c1-20-13(4-5-21-8-13)7-19-12(16-17-18-19)9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8,15H2,1H3
InChIKeyMUYPDYHOBRTTIU-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.87
Rot. Bonds4

About 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline

2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline (PubChem CID 104765235) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
PubChem CID104765235
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
SMILESCOC1(Cn2nnnc2-c2ccc(F)c(N)c2)CCOC1
InChIInChI=1S/C13H16FN5O2/c1-20-13(4-5-21-8-13)7-19-12(16-17-18-19)9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8,15H2,1H3
InChIKeyMUYPDYHOBRTTIU-UHFFFAOYSA-N
XLogP0.87
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765217
4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765216
3-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
CID 104765247
4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline
CID 104765237
1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581524
5-bromo-1-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-triazol-3-amine
CID 165472601
1-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzimidazol-5-amine
CID 104765910
2-methoxy-5-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227108
2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375590
2-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784464
2-methoxy-4-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline
CID 104784567
1-[(3-methoxyoxolan-3-yl)methyl]benzotriazole-4-carboxylic acid
CID 104762129

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline (CID 104765235) is 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline is COC1(Cn2nnnc2-c2ccc(F)c(N)c2)CCOC1.
What is the InChIKey of 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline?
The InChIKey is MUYPDYHOBRTTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-20-13(4-5-21-8-13)7-19-12(16-17-18-19)9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8,15H2,1H3.
What are the key properties of 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline?
2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline has a molecular weight of 293.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 104765235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).