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

C12H14N4O2 — CID 103200983

IUPACmethyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate
SMILESCOC(=O)Cc1nc2nccc(C3(C)CC3)n2n1
InChIInChI=1S/C12H14N4O2/c1-12(4-5-12)8-3-6-13-11-14-9(15-16(8)11)7-10(17)18-2/h3,6H,4-5,7H2,1-2H3
InChIKeyLCVNPFWDYUHFNX-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.89
Rot. Bonds3

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

methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate (PubChem CID 103200983) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate
PubChem CID103200983
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate
SMILESCOC(=O)Cc1nc2nccc(C3(C)CC3)n2n1
InChIInChI=1S/C12H14N4O2/c1-12(4-5-12)8-3-6-13-11-14-9(15-16(8)11)7-10(17)18-2/h3,6H,4-5,7H2,1-2H3
InChIKeyLCVNPFWDYUHFNX-UHFFFAOYSA-N
XLogP0.89
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate?
The IUPAC name of methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate (CID 103200983) is methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate?
The canonical SMILES for methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate is COC(=O)Cc1nc2nccc(C3(C)CC3)n2n1.
What is the InChIKey of methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate?
The InChIKey is LCVNPFWDYUHFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-12(4-5-12)8-3-6-13-11-14-9(15-16(8)11)7-10(17)18-2/h3,6H,4-5,7H2,1-2H3.
What are the key properties of methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate?
methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate has a molecular weight of 246.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate is sourced from PubChem (CID 103200983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).