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

C9H14N4 — CID 10797419

IUPAC2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1nc2c(CC)c(C)[nH]n2n1
InChIInChI=1S/C9H14N4/c1-4-7-6(3)11-13-9(7)10-8(5-2)12-13/h11H,4-5H2,1-3H3
InChIKeyVSHMGCQNPLNLME-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.49
Rot. Bonds2

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

2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 10797419) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID10797419
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1nc2c(CC)c(C)[nH]n2n1
InChIInChI=1S/C9H14N4/c1-4-7-6(3)11-13-9(7)10-8(5-2)12-13/h11H,4-5H2,1-3H3
InChIKeyVSHMGCQNPLNLME-UHFFFAOYSA-N
XLogP1.49
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole (CID 10797419) is 2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole is CCc1nc2c(CC)c(C)[nH]n2n1.
What is the InChIKey of 2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is VSHMGCQNPLNLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-7-6(3)11-13-9(7)10-8(5-2)12-13/h11H,4-5H2,1-3H3.
What are the key properties of 2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 178.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 10797419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).