5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol

C5H5N3O — CID 154235700

IUPAC5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol
SMILESOC1=CCn2ncnc21
InChIInChI=1S/C5H5N3O/c9-4-1-2-8-5(4)6-3-7-8/h1,3,9H,2H2
InChIKeyQMFGCRTYUFWNHT-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.19
Rot. Bonds

About 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol

5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol (PubChem CID 154235700) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol.

Molecular Properties

Compound Name5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol
PubChem CID154235700
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol
SMILESOC1=CCn2ncnc21
InChIInChI=1S/C5H5N3O/c9-4-1-2-8-5(4)6-3-7-8/h1,3,9H,2H2
InChIKeyQMFGCRTYUFWNHT-UHFFFAOYSA-N
XLogP0.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 134964958
CID 134964958
(Z)-1-(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)prop-1-en-1-ol
CID 59294630
5H-[1,2,4]triazolo[1,5-a]azepin-9-ol
CID 176132934
5-Methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol
CID 162788723
5-Methylidenepyrrolo[1,2-b][1,2,4]triazol-6-ol
CID 162788743
5-Methylidenepyrrolo[1,2-b][1,2,4]triazol-7-ol
CID 162850136

Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol?
The IUPAC name of 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol (CID 154235700) is 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol.
What is the SMILES notation for 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol?
The canonical SMILES for 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol is OC1=CCn2ncnc21.
What is the InChIKey of 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol?
The InChIKey is QMFGCRTYUFWNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c9-4-1-2-8-5(4)6-3-7-8/h1,3,9H,2H2.
What are the key properties of 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol?
5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol has a molecular weight of 123.11 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[1,2-b][1,2,4]triazol-7-ol is sourced from PubChem (CID 154235700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).