7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H23N5O — CID 84599376

IUPAC7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCN(CC)CCN1CCn2c(nn(C)c2=O)C1
InChIInChI=1S/C12H23N5O/c1-4-15(5-2)6-7-16-8-9-17-11(10-16)13-14(3)12(17)18/h4-10H2,1-3H3
InChIKeyHJYITNVWUZENCG-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.26
Rot. Bonds5

About 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 84599376) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID84599376
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCN(CC)CCN1CCn2c(nn(C)c2=O)C1
InChIInChI=1S/C12H23N5O/c1-4-15(5-2)6-7-16-8-9-17-11(10-16)13-14(3)12(17)18/h4-10H2,1-3H3
InChIKeyHJYITNVWUZENCG-UHFFFAOYSA-N
XLogP-0.26
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 147018723
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Frequently Asked Questions

What is the IUPAC name of 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 84599376) is 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCN(CC)CCN1CCn2c(nn(C)c2=O)C1.
What is the InChIKey of 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is HJYITNVWUZENCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-15(5-2)6-7-16-8-9-17-11(10-16)13-14(3)12(17)18/h4-10H2,1-3H3.
What are the key properties of 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 253.35 g/mol, XLogP of -0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(diethylamino)ethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 84599376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).