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

C12H21N5O2 — CID 136532370

IUPACN-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(C)C(C)C)N1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C12H21N5O2/c1-8(2)15(4)11(18)9(3)16-5-6-17-10(7-16)13-14-12(17)19/h8-9H,5-7H2,1-4H3,(H,14,19)
InChIKeyLLNDWTXMGJOBJU-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.36
Rot. Bonds3

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

N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide (PubChem CID 136532370) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide
PubChem CID136532370
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(C)C(C)C)N1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C12H21N5O2/c1-8(2)15(4)11(18)9(3)16-5-6-17-10(7-16)13-14-12(17)19/h8-9H,5-7H2,1-4H3,(H,14,19)
InChIKeyLLNDWTXMGJOBJU-UHFFFAOYSA-N
XLogP-0.36
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-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 N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide?
The IUPAC name of N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide (CID 136532370) is N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide is CC(C(=O)N(C)C(C)C)N1CCn2c(n[nH]c2=O)C1.
What is the InChIKey of N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide?
The InChIKey is LLNDWTXMGJOBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)15(4)11(18)9(3)16-5-6-17-10(7-16)13-14-12(17)19/h8-9H,5-7H2,1-4H3,(H,14,19).
What are the key properties of N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide?
N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide has a molecular weight of 267.33 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 136532370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).