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

C6H5N3O — CID 163055480

IUPAC3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol
SMILESC=c1nnc2c(O)ccn12
InChIInChI=1S/C6H5N3O/c1-4-7-8-6-5(10)2-3-9(4)6/h2-3,10H,1H2
InChIKeyNCEPDGXIKKLSRA-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.44
Rot. Bonds

About 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol

3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol (PubChem CID 163055480) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol.

Molecular Properties

Compound Name3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol
PubChem CID163055480
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol
SMILESC=c1nnc2c(O)ccn12
InChIInChI=1S/C6H5N3O/c1-4-7-8-6-5(10)2-3-9(4)6/h2-3,10H,1H2
InChIKeyNCEPDGXIKKLSRA-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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Related Compounds

3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107
3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117158565
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147323
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147016
3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146178
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146975
3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146249
3-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146384
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146542
3-methylimidazo[1,2-a]pyridin-8-ol
CID 105429184
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553

Frequently Asked Questions

What is the IUPAC name of 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol?
The IUPAC name of 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol (CID 163055480) is 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol.
What is the SMILES notation for 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol?
The canonical SMILES for 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol is C=c1nnc2c(O)ccn12.
What is the InChIKey of 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol?
The InChIKey is NCEPDGXIKKLSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-7-8-6-5(10)2-3-9(4)6/h2-3,10H,1H2.
What are the key properties of 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol?
3-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 3-methylidenepyrrolo[2,1-c][1,2,4]triazol-7-ol is sourced from PubChem (CID 163055480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).