6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole

C10H14N4 — CID 143762856

IUPAC6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole
SMILESC=c1c(CCCC)nn2c(C)nnc12
InChIInChI=1S/C10H14N4/c1-4-5-6-9-7(2)10-12-11-8(3)14(10)13-9/h2,4-6H2,1,3H3
InChIKeyRQOQNRMLWHGZOK-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.90
Rot. Bonds3

About 6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole

6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole (PubChem CID 143762856) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole
PubChem CID143762856
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole
SMILESC=c1c(CCCC)nn2c(C)nnc12
InChIInChI=1S/C10H14N4/c1-4-5-6-9-7(2)10-12-11-8(3)14(10)13-9/h2,4-6H2,1,3H3
InChIKeyRQOQNRMLWHGZOK-UHFFFAOYSA-N
XLogP0.90
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole
CID 57879785
2,6-Dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole
CID 58322124
6-Tert-butyl-2-methyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole
CID 59289902
3,6-Dimethyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole
CID 60065274
(7Z)-7-butan-2-ylidene-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazole
CID 68222987
(7Z)-7-ethylidene-2,6-dimethylpyrazolo[1,5-b][1,2,4]triazole
CID 134535152
6-Tert-butyl-3-methyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole
CID 140539575
(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-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole (CID 143762856) is 6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole is C=c1c(CCCC)nn2c(C)nnc12.
What is the InChIKey of 6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is RQOQNRMLWHGZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-5-6-9-7(2)10-12-11-8(3)14(10)13-9/h2,4-6H2,1,3H3.
What are the key properties of 6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole?
6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 190.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-methyl-7-methylidenepyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 143762856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).