2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole

C9H14N4 — CID 19002150

IUPAC2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1[nH]n2nc(C)nc2c1C
InChIInChI=1S/C9H14N4/c1-4-5-8-6(2)9-10-7(3)11-13(9)12-8/h12H,4-5H2,1-3H3
InChIKeyPUWDDKGHFJOJCD-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.63
Rot. Bonds2

About 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole

2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 19002150) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID19002150
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1[nH]n2nc(C)nc2c1C
InChIInChI=1S/C9H14N4/c1-4-5-8-6(2)9-10-7(3)11-13(9)12-8/h12H,4-5H2,1-3H3
InChIKeyPUWDDKGHFJOJCD-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole (CID 19002150) is 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole is CCCc1[nH]n2nc(C)nc2c1C.
What is the InChIKey of 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is PUWDDKGHFJOJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-5-8-6(2)9-10-7(3)11-13(9)12-8/h12H,4-5H2,1-3H3.
What are the key properties of 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 178.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-6-propyl-5H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 19002150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).