1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one

C10H12N4O — CID 13011545

IUPAC1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one
SMILESCCC(=O)c1nnc2ccnn2c1CC
InChIInChI=1S/C10H12N4O/c1-3-7-10(8(15)4-2)13-12-9-5-6-11-14(7)9/h5-6H,3-4H2,1-2H3
InChIKeyMFOCJSKXEZMSBG-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.28
Rot. Bonds3

About 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one

1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one (PubChem CID 13011545) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one
PubChem CID13011545
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one
SMILESCCC(=O)c1nnc2ccnn2c1CC
InChIInChI=1S/C10H12N4O/c1-3-7-10(8(15)4-2)13-12-9-5-6-11-14(7)9/h5-6H,3-4H2,1-2H3
InChIKeyMFOCJSKXEZMSBG-UHFFFAOYSA-N
XLogP1.28
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-2-one
CID 85843909
1-(4,7-Dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethan-1-one
CID 2735244
1-(4-Methyl-pyrazolo[5,1-c][1,2,4]triazin-3-yl)-ethanone
CID 13011540
3-Butanoyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
CID 13011543
4-Ethyl-3-propanoylpyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
CID 13011544
1-(8-Bromo-4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one
CID 13011563
(E)-3-(dimethylamino)-1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)prop-2-en-1-one
CID 5715594
1-(3-Fluoro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)propan-1-one
CID 138663408
8,9-dihydropyrazolo[5,1-c]-[1,2,4]benzotriazin-6(7H)-one
CID 12271989
3-Acetyl-4-[2-(dimethylamino)ethenyl]pyrazolo[5,1-c]-[1,2,4]triazine
CID 132452143
3-Acetyl-4-[(e)-2-(dimethylamino)vinyl]pyrazolo[5,1-c][1,2,4]triazine
CID 171665711
4-(7-Aminopyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one
CID 19709722

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one?
The IUPAC name of 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one (CID 13011545) is 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one is CCC(=O)c1nnc2ccnn2c1CC.
What is the InChIKey of 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one?
The InChIKey is MFOCJSKXEZMSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-7-10(8(15)4-2)13-12-9-5-6-11-14(7)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one?
1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one has a molecular weight of 204.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)propan-1-one is sourced from PubChem (CID 13011545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).