7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

C11H12N4O — CID 44567473

IUPAC7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCOc1ccc(N2CCn3cnnc32)cc1
InChIInChI=1S/C11H12N4O/c1-16-10-4-2-9(3-5-10)15-7-6-14-8-12-13-11(14)15/h2-5,8H,6-7H2,1H3
InChIKeyYSUCRYRRAKYSNX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.44
Rot. Bonds2

About 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 44567473) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID44567473
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCOc1ccc(N2CCn3cnnc32)cc1
InChIInChI=1S/C11H12N4O/c1-16-10-4-2-9(3-5-10)15-7-6-14-8-12-13-11(14)15/h2-5,8H,6-7H2,1H3
InChIKeyYSUCRYRRAKYSNX-UHFFFAOYSA-N
XLogP1.44
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 44567473) is 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is COc1ccc(N2CCn3cnnc32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is YSUCRYRRAKYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-16-10-4-2-9(3-5-10)15-7-6-14-8-12-13-11(14)15/h2-5,8H,6-7H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 216.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 44567473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).