N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

C9H15N5O2 — CID 66272343

IUPACN-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCCNC(=O)Cn1nc2n(c1=O)CCNC2
InChIInChI=1S/C9H15N5O2/c1-2-11-8(15)6-14-9(16)13-4-3-10-5-7(13)12-14/h10H,2-6H2,1H3,(H,11,15)
InChIKeyNOVSEYVSGITOIW-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.72
Rot. Bonds3

About N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (PubChem CID 66272343) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
PubChem CID66272343
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCCNC(=O)Cn1nc2n(c1=O)CCNC2
InChIInChI=1S/C9H15N5O2/c1-2-11-8(15)6-14-9(16)13-4-3-10-5-7(13)12-14/h10H,2-6H2,1H3,(H,11,15)
InChIKeyNOVSEYVSGITOIW-UHFFFAOYSA-N
XLogP-1.72
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (CID 66272343) is N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is CCNC(=O)Cn1nc2n(c1=O)CCNC2.
What is the InChIKey of N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The InChIKey is NOVSEYVSGITOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-11-8(15)6-14-9(16)13-4-3-10-5-7(13)12-14/h10H,2-6H2,1H3,(H,11,15).
What are the key properties of N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 66272343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).