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

C14H19N5O2 — CID 104765217

IUPAC5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
SMILESCOC1(Cn2nnnc2-c2ccc(C)c(N)c2)CCOC1
InChIInChI=1S/C14H19N5O2/c1-10-3-4-11(7-12(10)15)13-16-17-18-19(13)8-14(20-2)5-6-21-9-14/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeySFYJNJIPAQFYIN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.04
Rot. Bonds4

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

5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline (PubChem CID 104765217) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
PubChem CID104765217
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
SMILESCOC1(Cn2nnnc2-c2ccc(C)c(N)c2)CCOC1
InChIInChI=1S/C14H19N5O2/c1-10-3-4-11(7-12(10)15)13-16-17-18-19(13)8-14(20-2)5-6-21-9-14/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeySFYJNJIPAQFYIN-UHFFFAOYSA-N
XLogP1.04
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.04
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

4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765216
2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
CID 104765235
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
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline
CID 82228499
2-methyl-5-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
CID 113485905
2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
CID 61378776
2-methyl-5-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115521931
5-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61377583
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline (CID 104765217) is 5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline is COC1(Cn2nnnc2-c2ccc(C)c(N)c2)CCOC1.
What is the InChIKey of 5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline?
The InChIKey is SFYJNJIPAQFYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-3-4-11(7-12(10)15)13-16-17-18-19(13)8-14(20-2)5-6-21-9-14/h3-4,7H,5-6,8-9,15H2,1-2H3.
What are the key properties of 5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline?
5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline has a molecular weight of 289.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 104765217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).