3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C15H22N6O3S — CID 124757749

IUPAC3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)s1
InChIInChI=1S/C15H22N6O3S/c1-3-12-17-18-15(25-12)16-11(22)4-5-20-6-7-21-10(8-20)14(24)19(2)9-13(21)23/h10H,3-9H2,1-2H3,(H,16,18,22)/t10-/m1/s1
InChIKeyWZPWUBNHPNVJBR-SNVBAGLBSA-N
MW366.45 g/mol
LogP-0.59
Rot. Bonds5

About 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 124757749) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID124757749
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)s1
InChIInChI=1S/C15H22N6O3S/c1-3-12-17-18-15(25-12)16-11(22)4-5-20-6-7-21-10(8-20)14(24)19(2)9-13(21)23/h10H,3-9H2,1-2H3,(H,16,18,22)/t10-/m1/s1
InChIKeyWZPWUBNHPNVJBR-SNVBAGLBSA-N
XLogP-0.59
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)propanamide
CID 91833836
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 124755959
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093494
3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 74912540
4-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 940949
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
CID 124751247
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242019
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 45205978
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide
CID 4044677
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17452434

Frequently Asked Questions

What is the IUPAC name of 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 124757749) is 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCN2CCN3C(=O)CN(C)C(=O)[C@H]3C2)s1.
What is the InChIKey of 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is WZPWUBNHPNVJBR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-3-12-17-18-15(25-12)16-11(22)4-5-20-6-7-21-10(8-20)14(24)19(2)9-13(21)23/h10H,3-9H2,1-2H3,(H,16,18,22)/t10-/m1/s1.
What are the key properties of 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 366.45 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 124757749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).