formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine

C8H11N5O — CID 159590003

IUPACformaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine
SMILESC/N=C1\C(C)=Nn2nc(C)nc21.C=O
InChIInChI=1S/C7H9N5.CH2O/c1-4-6(8-3)7-9-5(2)11-12(7)10-4;1-2/h1-3H3;1H2/b8-6+;
InChIKeyMKCQKOARGPROQJ-WVLIHFOGSA-N
MW193.21 g/mol
LogP0.06
Rot. Bonds

About formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine

formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine (PubChem CID 159590003) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine.

Molecular Properties

Compound Nameformaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine
PubChem CID159590003
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Nameformaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine
SMILESC/N=C1\C(C)=Nn2nc(C)nc21.C=O
InChIInChI=1S/C7H9N5.CH2O/c1-4-6(8-3)7-9-5(2)11-12(7)10-4;1-2/h1-3H3;1H2/b8-6+;
InChIKeyMKCQKOARGPROQJ-WVLIHFOGSA-N
XLogP0.06
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-7H-pyrazolo[1,5-b][1,2,4]triazole
CID 18724706
3,6-dimethyl-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 18724708
6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole
CID 22944513
6-methoxy-3-methyl-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 22944514
1-ethyl-3,6-dimethyl-7H-pyrazolo[5,1-c][1,2,4]triazol-4-ium
CID 22944533
1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium
CID 22944544
N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine
CID 68009529
2,6,7-trimethyl-7H-pyrazolo[1,5-b][1,2,4]triazole
CID 90179580
2,6,7,7-Tetramethylpyrazolo[1,5-b][1,2,4]triazole
CID 141234529

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine?
The IUPAC name of formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine (CID 159590003) is formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine.
What is the SMILES notation for formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine?
The canonical SMILES for formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine is C/N=C1\C(C)=Nn2nc(C)nc21.C=O.
What is the InChIKey of formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine?
The InChIKey is MKCQKOARGPROQJ-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H9N5.CH2O/c1-4-6(8-3)7-9-5(2)11-12(7)10-4;1-2/h1-3H3;1H2/b8-6+;.
What are the key properties of formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine?
formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine has a molecular weight of 193.21 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine is sourced from PubChem (CID 159590003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).