methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

C12H15ClN4O2 — CID 86674711

IUPACmethyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2nc(C(C)C)nn2c1Cl
InChIInChI=1S/C12H15ClN4O2/c1-6(2)11-15-12-14-7(3)8(5-9(18)19-4)10(13)17(12)16-11/h6H,5H2,1-4H3
InChIKeyHAALVARHZCYMTB-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.93
Rot. Bonds3

About methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 86674711) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID86674711
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Namemethyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2nc(C(C)C)nn2c1Cl
InChIInChI=1S/C12H15ClN4O2/c1-6(2)11-15-12-14-7(3)8(5-9(18)19-4)10(13)17(12)16-11/h6H,5H2,1-4H3
InChIKeyHAALVARHZCYMTB-UHFFFAOYSA-N
XLogP1.93
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate (CID 86674711) is methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate is COC(=O)Cc1c(C)nc2nc(C(C)C)nn2c1Cl.
What is the InChIKey of methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is HAALVARHZCYMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-6(2)11-15-12-14-7(3)8(5-9(18)19-4)10(13)17(12)16-11/h6H,5H2,1-4H3.
What are the key properties of methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 282.73 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 86674711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).