7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol

C6H5N3O — CID 162937311

IUPAC7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol
SMILESC=c1c(O)cn2ncnc12
InChIInChI=1S/C6H5N3O/c1-4-5(10)2-9-6(4)7-3-8-9/h2-3,10H,1H2
InChIKeyZNCZQYZOUYOGBQ-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.44
Rot. Bonds

About 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol

7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol (PubChem CID 162937311) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol
PubChem CID162937311
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol
SMILESC=c1c(O)cn2ncnc12
InChIInChI=1S/C6H5N3O/c1-4-5(10)2-9-6(4)7-3-8-9/h2-3,10H,1H2
InChIKeyZNCZQYZOUYOGBQ-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

Analyze 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-fluoro-[1,2,4]triazolo[5,1-a]isoquinolin-6-ol
CID 123281813
6-ethenyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 167620295
7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164876385
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 121232255
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 66636284
8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164553586
8-ethyl-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 174345641
5-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol
CID 162788743
8-propan-2-yl-12-oxa-3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
CID 167511290
6,8-dibromo-7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 129050183
6-(6-amino-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 173089053
7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 166077040

Frequently Asked Questions

What is the IUPAC name of 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol (CID 162937311) is 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol is C=c1c(O)cn2ncnc12.
What is the InChIKey of 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol?
The InChIKey is ZNCZQYZOUYOGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-5(10)2-9-6(4)7-3-8-9/h2-3,10H,1H2.
What are the key properties of 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol?
7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-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 7-methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 162937311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).