2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one

C12H18N4O — CID 166803242

IUPAC2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCc1cc2c(=O)n(CC)nc(C(C)C)n2n1
InChIInChI=1S/C12H18N4O/c1-5-9-7-10-12(17)15(6-2)14-11(8(3)4)16(10)13-9/h7-8H,5-6H2,1-4H3
InChIKeyQGBKQKUUEZBPCW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.60
Rot. Bonds3

About 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one

2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 166803242) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID166803242
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCc1cc2c(=O)n(CC)nc(C(C)C)n2n1
InChIInChI=1S/C12H18N4O/c1-5-9-7-10-12(17)15(6-2)14-11(8(3)4)16(10)13-9/h7-8H,5-6H2,1-4H3
InChIKeyQGBKQKUUEZBPCW-UHFFFAOYSA-N
XLogP1.60
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
CID 51083920
4-ethyl-5-({1-[(3-isopropyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56861440
(1-Methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 59712183
4-ethyl-5-{1-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56756905
1-butyl-4-[(3-isopropyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-2-piperazinone
CID 70729133
1-[(3-isopropyl-1-methyl-1H-pyrazol-5-yl)carbonyl]azocane
CID 70749155
1-[(1-ethyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinamine
CID 70750261
N-(cyanomethyl)-1-methyl-N,3-bis(propan-2-yl)-1H-pyrazole-5-carboxamide
CID 71853213
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 121561883
(1-Methyl-3-propan-2-ylpyrazol-5-yl)-piperazin-1-ylmethanone
CID 132283701
5-cyclopropyl-1-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-3-carboxamide
CID 138017405

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one (CID 166803242) is 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one is CCc1cc2c(=O)n(CC)nc(C(C)C)n2n1.
What is the InChIKey of 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is QGBKQKUUEZBPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-5-9-7-10-12(17)15(6-2)14-11(8(3)4)16(10)13-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one?
2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 166803242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).