4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline

C14H19N5O2 — CID 104765237

IUPAC4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline
SMILESCOC1(Cn2nnnc2-c2ccc(N)cc2C)CCOC1
InChIInChI=1S/C14H19N5O2/c1-10-7-11(15)3-4-12(10)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
InChIKeyYANHUUAAHAFHML-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.04
Rot. Bonds4

About 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline

4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline (PubChem CID 104765237) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline.

Molecular Properties

Compound Name4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline
PubChem CID104765237
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline
SMILESCOC1(Cn2nnnc2-c2ccc(N)cc2C)CCOC1
InChIInChI=1S/C14H19N5O2/c1-10-7-11(15)3-4-12(10)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
InChIKeyYANHUUAAHAFHML-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

3-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
CID 104765247
4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765216
5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765217
2-fluoro-5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
CID 104765235
1-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzimidazol-5-amine
CID 104765910
3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 79361312
3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline
CID 61377000
1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581524
3-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 61352252
4-bromo-3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 63829617
3-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784465
3-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-4-methylaniline
CID 61377800

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline?
The IUPAC name of 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline (CID 104765237) is 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline.
What is the SMILES notation for 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline?
The canonical SMILES for 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline is COC1(Cn2nnnc2-c2ccc(N)cc2C)CCOC1.
What is the InChIKey of 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline?
The InChIKey is YANHUUAAHAFHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-7-11(15)3-4-12(10)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 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline?
4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-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 4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline is sourced from PubChem (CID 104765237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).