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

C10H10N6OS — CID 114455440

IUPAC2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3c(C)nsc3N)nc2n1
InChIInChI=1S/C10H10N6OS/c1-4-3-6(17)16-10(12-4)13-9(14-16)7-5(2)15-18-8(7)11/h3H,11H2,1-2H3,(H,12,13,14)
InChIKeyFIFJWLCFLRHUQO-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.74
Rot. Bonds1

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

2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455440) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455440
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3c(C)nsc3N)nc2n1
InChIInChI=1S/C10H10N6OS/c1-4-3-6(17)16-10(12-4)13-9(14-16)7-5(2)15-18-8(7)11/h3H,11H2,1-2H3,(H,12,13,14)
InChIKeyFIFJWLCFLRHUQO-UHFFFAOYSA-N
XLogP0.74
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-amino-2-methylphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455385
2-(2-amino-3-methylphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455369
2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455407
2-(2-amino-4-chlorophenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455447
5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 22433725
CID 156868790
CID 156868790
2-[1-(2-aminoethyl)triazol-4-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455501
2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455239
2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 137003542
2-[1,2-dihydroxy-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14985283
2-(1-aminocyclohexyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455461
2-(1-amino-2-methoxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455442

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455440) is 2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3c(C)nsc3N)nc2n1.
What is the InChIKey of 2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FIFJWLCFLRHUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-4-3-6(17)16-10(12-4)13-9(14-16)7-5(2)15-18-8(7)11/h3H,11H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 262.30 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).