2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole

C9H14N4 — CID 10702471

IUPAC2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1nc2c(C(C)C)cnn2[nH]1
InChIInChI=1S/C9H14N4/c1-4-8-11-9-7(6(2)3)5-10-13(9)12-8/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyLNPWVEWBORVNIQ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.74
Rot. Bonds2

About 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole

2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 10702471) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID10702471
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1nc2c(C(C)C)cnn2[nH]1
InChIInChI=1S/C9H14N4/c1-4-8-11-9-7(6(2)3)5-10-13(9)12-8/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyLNPWVEWBORVNIQ-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10486903
CID 10486903
CID 10510908
CID 10510908
CID 10558960
CID 10558960
CID 10559663
CID 10559663
CID 10606910
CID 10606910
CID 10654913
CID 10654913
CID 10702470
CID 10702470
CID 10725700
CID 10725700
CID 10749349
CID 10749349
CID 10821206
CID 10821206
CID 10844756
CID 10844756
CID 17800056
CID 17800056

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole (CID 10702471) is 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole is CCc1nc2c(C(C)C)cnn2[nH]1.
What is the InChIKey of 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is LNPWVEWBORVNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-8-11-9-7(6(2)3)5-10-13(9)12-8/h5-6H,4H2,1-3H3,(H,11,12).
What are the key properties of 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole?
2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 178.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 10702471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).