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

C11H19N5O2 — CID 66274047

IUPAC3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C11H19N5O2/c1-8(2)13-10(17)3-5-16-11(18)15-6-4-12-7-9(15)14-16/h8,12H,3-7H2,1-2H3,(H,13,17)
InChIKeyAVHFABYBXCNEJR-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.94
Rot. Bonds4

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

3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide (PubChem CID 66274047) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide
PubChem CID66274047
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C11H19N5O2/c1-8(2)13-10(17)3-5-16-11(18)15-6-4-12-7-9(15)14-16/h8,12H,3-7H2,1-2H3,(H,13,17)
InChIKeyAVHFABYBXCNEJR-UHFFFAOYSA-N
XLogP-0.94
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide (CID 66274047) is 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1nc2n(c1=O)CCNC2.
What is the InChIKey of 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide?
The InChIKey is AVHFABYBXCNEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(2)13-10(17)3-5-16-11(18)15-6-4-12-7-9(15)14-16/h8,12H,3-7H2,1-2H3,(H,13,17).
What are the key properties of 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide?
3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide has a molecular weight of 253.31 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 66274047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).