4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline

C15H15N5O — CID 61351407

IUPAC4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline
SMILESCOc1ccc(Cn2nnnc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C15H15N5O/c1-21-14-8-2-11(3-9-14)10-20-15(17-18-19-20)12-4-6-13(16)7-5-12/h2-9H,10,16H2,1H3
InChIKeyHXBIRBIAIIDLLR-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.98
Rot. Bonds4

About 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline

4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline (PubChem CID 61351407) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline
PubChem CID61351407
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline
SMILESCOc1ccc(Cn2nnnc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C15H15N5O/c1-21-14-8-2-11(3-9-14)10-20-15(17-18-19-20)12-4-6-13(16)7-5-12/h2-9H,10,16H2,1H3
InChIKeyHXBIRBIAIIDLLR-UHFFFAOYSA-N
XLogP1.98
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.98
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 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline (CID 61351407) is 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline is COc1ccc(Cn2nnnc2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is HXBIRBIAIIDLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-21-14-8-2-11(3-9-14)10-20-15(17-18-19-20)12-4-6-13(16)7-5-12/h2-9H,10,16H2,1H3.
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline?
4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 281.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 61351407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).