1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one

C13H12N4O2 — CID 159985112

IUPAC1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one
SMILESCC(=O)Cc1cc2nc(C)nn2c(-c2ccoc2)n1
InChIInChI=1S/C13H12N4O2/c1-8(18)5-11-6-12-14-9(2)16-17(12)13(15-11)10-3-4-19-7-10/h3-4,6-7H,5H2,1-2H3
InChIKeyOGFTYUDYGZVYCQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.82
Rot. Bonds3

About 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one

1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one (PubChem CID 159985112) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one
PubChem CID159985112
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one
SMILESCC(=O)Cc1cc2nc(C)nn2c(-c2ccoc2)n1
InChIInChI=1S/C13H12N4O2/c1-8(18)5-11-6-12-14-9(2)16-17(12)13(15-11)10-3-4-19-7-10/h3-4,6-7H,5H2,1-2H3
InChIKeyOGFTYUDYGZVYCQ-UHFFFAOYSA-N
XLogP1.82
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one?
The IUPAC name of 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one (CID 159985112) is 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one.
What is the SMILES notation for 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one?
The canonical SMILES for 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one is CC(=O)Cc1cc2nc(C)nn2c(-c2ccoc2)n1.
What is the InChIKey of 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one?
The InChIKey is OGFTYUDYGZVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8(18)5-11-6-12-14-9(2)16-17(12)13(15-11)10-3-4-19-7-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one?
1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-3-yl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propan-2-one is sourced from PubChem (CID 159985112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).