methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate

C9H10N4O3 — CID 666935

IUPACmethyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C9H10N4O3/c1-5-10-9-11-6(4-8(15)16-2)3-7(14)13(9)12-5/h3H,4H2,1-2H3,(H,10,11,12)
InChIKeySUTIOSKFWOURDR-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.56
Rot. Bonds2

About methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate

methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate (PubChem CID 666935) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
PubChem CID666935
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Namemethyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1cc(=O)n2[nH]c(C)nc2n1
InChIInChI=1S/C9H10N4O3/c1-5-10-9-11-6(4-8(15)16-2)3-7(14)13(9)12-5/h3H,4H2,1-2H3,(H,10,11,12)
InChIKeySUTIOSKFWOURDR-UHFFFAOYSA-N
XLogP-0.56
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
CID 1474397
methyl 2-[2-[(4-methoxyphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
CID 23610617
2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 666943
methyl 2-[7-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
CID 23610739
ethyl 2-[2-[(4-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
CID 23610612
2-ethoxy-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 104818832
N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide
CID 22160344
2-methoxy-5-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 83096213
5-(butylamino)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 166643227
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 31105094
2-(2-benzyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-diethoxyacetamide
CID 22160368
2,5-diethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114514224

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate (CID 666935) is methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate is COC(=O)Cc1cc(=O)n2[nH]c(C)nc2n1.
What is the InChIKey of methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate?
The InChIKey is SUTIOSKFWOURDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-5-10-9-11-6(4-8(15)16-2)3-7(14)13(9)12-5/h3H,4H2,1-2H3,(H,10,11,12).
What are the key properties of methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate?
methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate has a molecular weight of 222.20 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate is sourced from PubChem (CID 666935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).