6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole

C8H12N4 — CID 22944513

IUPAC6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCC1=Nn2nc(C(C)C)nc2C1
InChIInChI=1S/C8H12N4/c1-5(2)8-9-7-4-6(3)10-12(7)11-8/h5H,4H2,1-3H3
InChIKeyYMHJPJACZKCNJZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.18
Rot. Bonds1

About 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole

6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 22944513) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID22944513
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCC1=Nn2nc(C(C)C)nc2C1
InChIInChI=1S/C8H12N4/c1-5(2)8-9-7-4-6(3)10-12(7)11-8/h5H,4H2,1-3H3
InChIKeyYMHJPJACZKCNJZ-UHFFFAOYSA-N
XLogP1.18
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine
CID 14338417
6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 22944551
4-Fluoro-3-propan-2-yl-5-propyl-1,2,4-triazole
CID 141605967
4-Amino-3,5-diisobutyl-4h-1,2,4-triazole
CID 100553551
3-(heptan-3-yl)-6-methyl-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 91700800
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-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
1-Tert-butyl-3-ethyl-5-methyl-1,2,4-triazole
CID 57619262
2,6-Dimethyl-7-methylidenepyrazolo[1,5-b][1,2,4]triazole
CID 57879743
2-(5-Methyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)ethylidenetungsten;tungsten
CID 58599531

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole (CID 22944513) is 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole is CC1=Nn2nc(C(C)C)nc2C1.
What is the InChIKey of 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is YMHJPJACZKCNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5(2)8-9-7-4-6(3)10-12(7)11-8/h5H,4H2,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole?
6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 164.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 22944513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).