4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole

C15H20BrN3O3 — CID 67607136

IUPAC4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole
SMILESCOCC(COc1ccc2c(nnn2CC2CC2)c1Br)OC
InChIInChI=1S/C15H20BrN3O3/c1-20-8-11(21-2)9-22-13-6-5-12-15(14(13)16)17-18-19(12)7-10-3-4-10/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyUTFUNGAFKVSQIF-UHFFFAOYSA-N
MW370.25 g/mol
LogP2.64
Rot. Bonds8

About 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole

4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole (PubChem CID 67607136) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole.

Molecular Properties

Compound Name4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole
PubChem CID67607136
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole
SMILESCOCC(COc1ccc2c(nnn2CC2CC2)c1Br)OC
InChIInChI=1S/C15H20BrN3O3/c1-20-8-11(21-2)9-22-13-6-5-12-15(14(13)16)17-18-19(12)7-10-3-4-10/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyUTFUNGAFKVSQIF-UHFFFAOYSA-N
XLogP2.64
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole?
The IUPAC name of 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole (CID 67607136) is 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole.
What is the SMILES notation for 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole?
The canonical SMILES for 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole is COCC(COc1ccc2c(nnn2CC2CC2)c1Br)OC.
What is the InChIKey of 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole?
The InChIKey is UTFUNGAFKVSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-20-8-11(21-2)9-22-13-6-5-12-15(14(13)16)17-18-19(12)7-10-3-4-10/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole?
4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole has a molecular weight of 370.25 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclopropylmethyl)-5-(2,3-dimethoxypropoxy)benzotriazole is sourced from PubChem (CID 67607136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).