4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one

C10H10N6OS — CID 106382210

IUPAC4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1nnc2c(NCc3csc(=O)[nH]3)nccn12
InChIInChI=1S/C10H10N6OS/c1-6-14-15-9-8(11-2-3-16(6)9)12-4-7-5-18-10(17)13-7/h2-3,5H,4H2,1H3,(H,11,12)(H,13,17)
InChIKeyNWJYPSHLQKBBLV-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.79
Rot. Bonds3

About 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382210) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382210
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCc1nnc2c(NCc3csc(=O)[nH]3)nccn12
InChIInChI=1S/C10H10N6OS/c1-6-14-15-9-8(11-2-3-16(6)9)12-4-7-5-18-10(17)13-7/h2-3,5H,4H2,1H3,(H,11,12)(H,13,17)
InChIKeyNWJYPSHLQKBBLV-UHFFFAOYSA-N
XLogP0.79
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181572
4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382050
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384084
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 79099269
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383057
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate
CID 106382203
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 79099370
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181566
4-[[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384429
5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol
CID 107269269
2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-1-piperidin-1-ylethanone
CID 115677808

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106382210) is 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one is Cc1nnc2c(NCc3csc(=O)[nH]3)nccn12.
What is the InChIKey of 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NWJYPSHLQKBBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-6-14-15-9-8(11-2-3-16(6)9)12-4-7-5-18-10(17)13-7/h2-3,5H,4H2,1H3,(H,11,12)(H,13,17).
What are the key properties of 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 262.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).