2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide

C15H18N8O2S — CID 55635727

IUPAC2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide
SMILESCOc1ccnc(NNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)n1
InChIInChI=1S/C15H18N8O2S/c1-8-10(9(2)23-14(17-8)19-15(22-23)26-4)7-11(24)20-21-13-16-6-5-12(18-13)25-3/h5-6H,7H2,1-4H3,(H,20,24)(H,16,18,21)
InChIKeySCWPKCXGMSAHAT-UHFFFAOYSA-N
MW374.43 g/mol
LogP0.95
Rot. Bonds6

About 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide (PubChem CID 55635727) has the molecular formula C15H18N8O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide
PubChem CID55635727
Molecular FormulaC15H18N8O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide
SMILESCOc1ccnc(NNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)n1
InChIInChI=1S/C15H18N8O2S/c1-8-10(9(2)23-14(17-8)19-15(22-23)26-4)7-11(24)20-21-13-16-6-5-12(18-13)25-3/h5-6H,7H2,1-4H3,(H,20,24)(H,16,18,21)
InChIKeySCWPKCXGMSAHAT-UHFFFAOYSA-N
XLogP0.95
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide?
The IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide (CID 55635727) is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide.
What is the SMILES notation for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide?
The canonical SMILES for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide is COc1ccnc(NNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)n1.
What is the InChIKey of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide?
The InChIKey is SCWPKCXGMSAHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2S/c1-8-10(9(2)23-14(17-8)19-15(22-23)26-4)7-11(24)20-21-13-16-6-5-12(18-13)25-3/h5-6H,7H2,1-4H3,(H,20,24)(H,16,18,21).
What are the key properties of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide?
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide has a molecular weight of 374.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-(4-methoxypyrimidin-2-yl)acetohydrazide is sourced from PubChem (CID 55635727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).