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

C15H22N6O2 — CID 71927877

IUPAC5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCC1CN(C(=O)Cn2ncn3nccc3c2=O)CC1N(C)C
InChIInChI=1S/C15H22N6O2/c1-4-11-7-19(8-13(11)18(2)3)14(22)9-20-15(23)12-5-6-16-21(12)10-17-20/h5-6,10-11,13H,4,7-9H2,1-3H3
InChIKeyLVSYIDRUEHYHQX-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.31
Rot. Bonds4

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

5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 71927877) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID71927877
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCC1CN(C(=O)Cn2ncn3nccc3c2=O)CC1N(C)C
InChIInChI=1S/C15H22N6O2/c1-4-11-7-19(8-13(11)18(2)3)14(22)9-20-15(23)12-5-6-16-21(12)10-17-20/h5-6,10-11,13H,4,7-9H2,1-3H3
InChIKeyLVSYIDRUEHYHQX-UHFFFAOYSA-N
XLogP-0.31
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.31
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-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 71927877) is 5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-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-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is CCC1CN(C(=O)Cn2ncn3nccc3c2=O)CC1N(C)C.
What is the InChIKey of 5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is LVSYIDRUEHYHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-4-11-7-19(8-13(11)18(2)3)14(22)9-20-15(23)12-5-6-16-21(12)10-17-20/h5-6,10-11,13H,4,7-9H2,1-3H3.
What are the key properties of 5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
5-[2-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 318.38 g/mol, XLogP of -0.31, 4 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-ethylpyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 71927877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).