3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole

C12H13N3O — CID 71746962

IUPAC3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole
SMILESCOc1ccc(-c2nnn3c2CCC3)cc1
InChIInChI=1S/C12H13N3O/c1-16-10-6-4-9(5-7-10)12-11-3-2-8-15(11)14-13-12/h4-7H,2-3,8H2,1H3
InChIKeyFCXQYUPUPBTTPA-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.90
Rot. Bonds2

About 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole

3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole (PubChem CID 71746962) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole
PubChem CID71746962
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole
SMILESCOc1ccc(-c2nnn3c2CCC3)cc1
InChIInChI=1S/C12H13N3O/c1-16-10-6-4-9(5-7-10)12-11-3-2-8-15(11)14-13-12/h4-7H,2-3,8H2,1H3
InChIKeyFCXQYUPUPBTTPA-UHFFFAOYSA-N
XLogP1.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole?
The IUPAC name of 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole (CID 71746962) is 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole is COc1ccc(-c2nnn3c2CCC3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole?
The InChIKey is FCXQYUPUPBTTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-10-6-4-9(5-7-10)12-11-3-2-8-15(11)14-13-12/h4-7H,2-3,8H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole?
3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole has a molecular weight of 215.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazole is sourced from PubChem (CID 71746962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).