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

C8H12N4 — CID 10844756

IUPAC2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1cnn2[nH]c(C)nc12
InChIInChI=1S/C8H12N4/c1-3-4-7-5-9-12-8(7)10-6(2)11-12/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyPTIUCEZAEACZIR-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.32
Rot. Bonds2

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

2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 10844756) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID10844756
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCCc1cnn2[nH]c(C)nc12
InChIInChI=1S/C8H12N4/c1-3-4-7-5-9-12-8(7)10-6(2)11-12/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyPTIUCEZAEACZIR-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole (CID 10844756) is 2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole is CCCc1cnn2[nH]c(C)nc12.
What is the InChIKey of 2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is PTIUCEZAEACZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-4-7-5-9-12-8(7)10-6(2)11-12/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole?
2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 164.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 10844756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).