3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide

C15H17N5O2 — CID 3245155

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C15H17N5O2/c1-10-13(11(2)20-15(19-10)17-9-18-20)5-6-14(21)16-8-12-4-3-7-22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,21)
InChIKeyQMZBPIPRHYAQPF-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.58
Rot. Bonds5

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 3245155) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID3245155
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C15H17N5O2/c1-10-13(11(2)20-15(19-10)17-9-18-20)5-6-14(21)16-8-12-4-3-7-22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,21)
InChIKeyQMZBPIPRHYAQPF-UHFFFAOYSA-N
XLogP1.58
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide (CID 3245155) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccco1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is QMZBPIPRHYAQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10-13(11(2)20-15(19-10)17-9-18-20)5-6-14(21)16-8-12-4-3-7-22-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,21).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 299.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 3245155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).