2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine

C14H14N4O — CID 59715849

IUPAC2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine
SMILESCNc1ccc2nn(-c3ccc(OC)cc3)nc2c1
InChIInChI=1S/C14H14N4O/c1-15-10-3-8-13-14(9-10)17-18(16-13)11-4-6-12(19-2)7-5-11/h3-9,15H,1-2H3
InChIKeySDQMJWLZCKSTST-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine

2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine (PubChem CID 59715849) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine
PubChem CID59715849
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine
SMILESCNc1ccc2nn(-c3ccc(OC)cc3)nc2c1
InChIInChI=1S/C14H14N4O/c1-15-10-3-8-13-14(9-10)17-18(16-13)11-4-6-12(19-2)7-5-11/h3-9,15H,1-2H3
InChIKeySDQMJWLZCKSTST-UHFFFAOYSA-N
XLogP2.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine (CID 59715849) is 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine is CNc1ccc2nn(-c3ccc(OC)cc3)nc2c1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine?
The InChIKey is SDQMJWLZCKSTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-15-10-3-8-13-14(9-10)17-18(16-13)11-4-6-12(19-2)7-5-11/h3-9,15H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine?
2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine has a molecular weight of 254.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methylbenzotriazol-5-amine is sourced from PubChem (CID 59715849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).