2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole

C8H12N4 — CID 10725700

IUPAC2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1nc2c(CC)cnn2[nH]1
InChIInChI=1S/C8H12N4/c1-3-6-5-9-12-8(6)10-7(4-2)11-12/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyDKDIBDKDJSCXGJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.18
Rot. Bonds2

About 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole

2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 10725700) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID10725700
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1nc2c(CC)cnn2[nH]1
InChIInChI=1S/C8H12N4/c1-3-6-5-9-12-8(6)10-7(4-2)11-12/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyDKDIBDKDJSCXGJ-UHFFFAOYSA-N
XLogP1.18
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole (CID 10725700) is 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole is CCc1nc2c(CC)cnn2[nH]1.
What is the InChIKey of 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is DKDIBDKDJSCXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-6-5-9-12-8(6)10-7(4-2)11-12/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole?
2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 164.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 10725700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).