(6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine

C7H7N5 — CID 59956166

IUPAC(6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine
SMILES[H]/N=C/c1nnc2c(=C)c(C)nn12
InChIInChI=1S/C7H7N5/c1-4-5(2)11-12-6(3-8)9-10-7(4)12/h3,8H,1H2,2H3/b8-3+
InChIKeyHLGYCSRHOLEIJN-FPYGCLRLSA-N
MW161.17 g/mol
LogP-0.44
Rot. Bonds1

About (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine

(6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine (PubChem CID 59956166) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine.

Molecular Properties

Compound Name(6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine
PubChem CID59956166
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name(6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine
SMILES[H]/N=C/c1nnc2c(=C)c(C)nn12
InChIInChI=1S/C7H7N5/c1-4-5(2)11-12-6(3-8)9-10-7(4)12/h3,8H,1H2,2H3/b8-3+
InChIKeyHLGYCSRHOLEIJN-FPYGCLRLSA-N
XLogP-0.44
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-7-methylidene-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazole
CID 163496062
2,6-Dimethyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole
CID 57879743
3,6-Dimethyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole
CID 60065274
(1E)-1-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-N,N-dimethylmethanamine
CID 148304011

Frequently Asked Questions

What is the IUPAC name of (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine?
The IUPAC name of (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine (CID 59956166) is (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine.
What is the SMILES notation for (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine?
The canonical SMILES for (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine is [H]/N=C/c1nnc2c(=C)c(C)nn12.
What is the InChIKey of (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine?
The InChIKey is HLGYCSRHOLEIJN-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H7N5/c1-4-5(2)11-12-6(3-8)9-10-7(4)12/h3,8H,1H2,2H3/b8-3+.
What are the key properties of (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine?
(6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine has a molecular weight of 161.17 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazol-3-yl)methanimine is sourced from PubChem (CID 59956166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).