1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium

C9H15N4+ — CID 22944544

IUPAC1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium
SMILESCCc1nn2c([n+]1CC)CC(C)=N2
InChIInChI=1S/C9H15N4/c1-4-8-11-13-9(12(8)5-2)6-7(3)10-13/h4-6H2,1-3H3/q+1
InChIKeyXWGULCVNNASGLF-UHFFFAOYSA-N
MW179.25 g/mol
LogP0.53
Rot. Bonds2

About 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium

1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium (PubChem CID 22944544) has the molecular formula C9H15N4+ and a molecular weight of 179.25 g/mol. Its IUPAC name is 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium.

Molecular Properties

Compound Name1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium
PubChem CID22944544
Molecular FormulaC9H15N4+
Molecular Weight179.25 g/mol
Exact Mass179.13
IUPAC Name1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium
SMILESCCc1nn2c([n+]1CC)CC(C)=N2
InChIInChI=1S/C9H15N4/c1-4-8-11-13-9(12(8)5-2)6-7(3)10-13/h4-6H2,1-3H3/q+1
InChIKeyXWGULCVNNASGLF-UHFFFAOYSA-N
XLogP0.53
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(dimethyl-4H-1,2,4-triazol-3-yl)propan-1-amine
CID 61353394
3-(dimethyl-4H-1,2,4-triazol-3-yl)propanenitrile
CID 138040228
3,4-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 20597165
3-Ethyl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
CID 89734320
3-(2-Fluoroethyl)-4,5-dimethyl-1,2,4-triazole
CID 117905812
7-fluoro-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 166824264
5-Ethyl-4-propyl-1,2,4-triazol-3-amine
CID 162404014
3-[(3-fluoropyrrolidin-1-yl)methyl]-4,5-dimethyl-4H-1,2,4-triazole
CID 171701620
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
1-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 18726584
3-Ethyl-4,5-dimethyl-1,2,4-triazole
CID 18726711

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium?
The IUPAC name of 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium (CID 22944544) is 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium.
What is the SMILES notation for 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium?
The canonical SMILES for 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium is CCc1nn2c([n+]1CC)CC(C)=N2.
What is the InChIKey of 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium?
The InChIKey is XWGULCVNNASGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N4/c1-4-8-11-13-9(12(8)5-2)6-7(3)10-13/h4-6H2,1-3H3/q+1.
What are the key properties of 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium?
1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium has a molecular weight of 179.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium is sourced from PubChem (CID 22944544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).