1-(3,4,5-trimethoxyphenyl)benzotriazole

C15H15N3O3 — CID 175194463

IUPAC1-(3,4,5-trimethoxyphenyl)benzotriazole
SMILESCOc1cc(-n2nnc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C15H15N3O3/c1-19-13-8-10(9-14(20-2)15(13)21-3)18-12-7-5-4-6-11(12)16-17-18/h4-9H,1-3H3
InChIKeyMSQHSPMEEPYHKO-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.45
Rot. Bonds4

About 1-(3,4,5-trimethoxyphenyl)benzotriazole

1-(3,4,5-trimethoxyphenyl)benzotriazole (PubChem CID 175194463) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)benzotriazole.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)benzotriazole
PubChem CID175194463
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(3,4,5-trimethoxyphenyl)benzotriazole
SMILESCOc1cc(-n2nnc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C15H15N3O3/c1-19-13-8-10(9-14(20-2)15(13)21-3)18-12-7-5-4-6-11(12)16-17-18/h4-9H,1-3H3
InChIKeyMSQHSPMEEPYHKO-UHFFFAOYSA-N
XLogP2.45
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)benzotriazole
CID 53415460
6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 162717005
6-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 162717000
11-(benzotriazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-2-thia-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,9,11,13,15-octaen-10-amine
CID 11049782
2-(benzotriazol-1-yl)-4,5-dimethoxybenzaldehyde
CID 155936683
2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol
CID 132608233
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
1-(5-methoxy-1H-indazol-3-yl)benzotriazole
CID 45104175
4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline
CID 110435993
sodium;5-(benzotriazol-1-yl)-4-hydroxy-2-methoxybenzenesulfonic acid;hydride
CID 173035575
1-[4-(benzenesulfonyl)phenyl]benzotriazole
CID 23907838
1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine
CID 134591552

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)benzotriazole?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)benzotriazole (CID 175194463) is 1-(3,4,5-trimethoxyphenyl)benzotriazole.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)benzotriazole?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)benzotriazole is COc1cc(-n2nnc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)benzotriazole?
The InChIKey is MSQHSPMEEPYHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-19-13-8-10(9-14(20-2)15(13)21-3)18-12-7-5-4-6-11(12)16-17-18/h4-9H,1-3H3.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)benzotriazole?
1-(3,4,5-trimethoxyphenyl)benzotriazole has a molecular weight of 285.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)benzotriazole is sourced from PubChem (CID 175194463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).