3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole

C6H8N4 — CID 20670745

IUPAC3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1c[nH]n2c(C)nnc12
InChIInChI=1S/C6H8N4/c1-4-3-7-10-5(2)8-9-6(4)10/h3,7H,1-2H3
InChIKeyWSJJZFXOVOFRBI-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.67
Rot. Bonds

About 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole

3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 20670745) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID20670745
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1c[nH]n2c(C)nnc12
InChIInChI=1S/C6H8N4/c1-4-3-7-10-5(2)8-9-6(4)10/h3,7H,1-2H3
InChIKeyWSJJZFXOVOFRBI-UHFFFAOYSA-N
XLogP0.67
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine
CID 5200223
3-(1-methyl-1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-amine
CID 28742868
5H-pyrazolo[1,5-b][1,2,4]triazole
CID 13587869
3-(3-Amino-1-methylpyrazol-4-yl)-1,2,4-triazol-4-amine
CID 178271480
1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 61278116
2,7-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazole
CID 10486903
2-ethyl-1H-pyrazolo[1,5-b][1,2,4]triazole
CID 10510908
7-methyl-2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 10558960
7-butyl-2-ethyl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 10559663
7-ethyl-2-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 10606910
7-methyl-1H-imidazo[1,2-b]pyrazole
CID 10630474
7-ethyl-2-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 10654913

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 20670745) is 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole is Cc1c[nH]n2c(C)nnc12.
What is the InChIKey of 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is WSJJZFXOVOFRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-4-3-7-10-5(2)8-9-6(4)10/h3,7H,1-2H3.
What are the key properties of 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 136.16 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 20670745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).