5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H18N6OS — CID 135101045

IUPAC5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc(C(C)N(C)Cc2cc(=O)n3[nH]cnc3n2)c(C)s1
InChIInChI=1S/C14H18N6OS/c1-8(13-9(2)22-10(3)17-13)19(4)6-11-5-12(21)20-14(18-11)15-7-16-20/h5,7-8H,6H2,1-4H3,(H,15,16,18)
InChIKeyQEIYMOPUAXZKNI-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.68
Rot. Bonds4

About 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 135101045) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID135101045
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc(C(C)N(C)Cc2cc(=O)n3[nH]cnc3n2)c(C)s1
InChIInChI=1S/C14H18N6OS/c1-8(13-9(2)22-10(3)17-13)19(4)6-11-5-12(21)20-14(18-11)15-7-16-20/h5,7-8H,6H2,1-4H3,(H,15,16,18)
InChIKeyQEIYMOPUAXZKNI-UHFFFAOYSA-N
XLogP1.68
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 135101045) is 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc(C(C)N(C)Cc2cc(=O)n3[nH]cnc3n2)c(C)s1.
What is the InChIKey of 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QEIYMOPUAXZKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-8(13-9(2)22-10(3)17-13)19(4)6-11-5-12(21)20-14(18-11)15-7-16-20/h5,7-8H,6H2,1-4H3,(H,15,16,18).
What are the key properties of 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135101045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).