5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol

C6H5N3O — CID 162788723

IUPAC5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol
SMILESC=c1cc(O)c2nncn12
InChIInChI=1S/C6H5N3O/c1-4-2-5(10)6-8-7-3-9(4)6/h2-3,10H,1H2
InChIKeyQKQVEQWLKBLTAS-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.44
Rot. Bonds

About 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol

5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol (PubChem CID 162788723) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol.

Molecular Properties

Compound Name5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol
PubChem CID162788723
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol
SMILESC=c1cc(O)c2nncn12
InChIInChI=1S/C6H5N3O/c1-4-2-5(10)6-8-7-3-9(4)6/h2-3,10H,1H2
InChIKeyQKQVEQWLKBLTAS-UHFFFAOYSA-N
XLogP-0.44
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol?
The IUPAC name of 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol (CID 162788723) is 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol.
What is the SMILES notation for 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol?
The canonical SMILES for 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol is C=c1cc(O)c2nncn12.
What is the InChIKey of 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol?
The InChIKey is QKQVEQWLKBLTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-2-5(10)6-8-7-3-9(4)6/h2-3,10H,1H2.
What are the key properties of 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol?
5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol has a molecular weight of 135.13 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol is sourced from PubChem (CID 162788723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).