5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

C14H20N6O2 — CID 71872146

IUPAC5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCC1CN(C(=O)Cn2ncn3nccc3c2=O)CC1N(C)C
InChIInChI=1S/C14H20N6O2/c1-10-6-18(7-12(10)17(2)3)13(21)8-19-14(22)11-4-5-15-20(11)9-16-19/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyMDWCYGWIOFVUBU-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.70
Rot. Bonds3

About 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 71872146) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID71872146
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCC1CN(C(=O)Cn2ncn3nccc3c2=O)CC1N(C)C
InChIInChI=1S/C14H20N6O2/c1-10-6-18(7-12(10)17(2)3)13(21)8-19-14(22)11-4-5-15-20(11)9-16-19/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyMDWCYGWIOFVUBU-UHFFFAOYSA-N
XLogP-0.70
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 71872146) is 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is CC1CN(C(=O)Cn2ncn3nccc3c2=O)CC1N(C)C.
What is the InChIKey of 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is MDWCYGWIOFVUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10-6-18(7-12(10)17(2)3)13(21)8-19-14(22)11-4-5-15-20(11)9-16-19/h4-5,9-10,12H,6-8H2,1-3H3.
What are the key properties of 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 304.35 g/mol, XLogP of -0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 71872146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).