[(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C12H14N4O3 — CID 51643550

IUPAC[(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OC[C@H]3CCCO3)nn12
InChIInChI=1S/C12H14N4O3/c1-8-4-5-13-12-14-10(15-16(8)12)11(17)19-7-9-3-2-6-18-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyBDVJJESDEXECIO-SECBINFHSA-N
MW262.27 g/mol
LogP0.77
Rot. Bonds3

About [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

[(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 51643550) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID51643550
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name[(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OC[C@H]3CCCO3)nn12
InChIInChI=1S/C12H14N4O3/c1-8-4-5-13-12-14-10(15-16(8)12)11(17)19-7-9-3-2-6-18-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyBDVJJESDEXECIO-SECBINFHSA-N
XLogP0.77
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 51643550) is [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is Cc1ccnc2nc(C(=O)OC[C@H]3CCCO3)nn12.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is BDVJJESDEXECIO-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8-4-5-13-12-14-10(15-16(8)12)11(17)19-7-9-3-2-6-18-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
[(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 51643550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).