2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide

C15H23N5O — CID 3238572

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C15H23N5O/c1-4-5-6-7-8-16-14(21)10-13-18-15-17-11(2)9-12(3)20(15)19-13/h9H,4-8,10H2,1-3H3,(H,16,21)
InChIKeySZEOKJBCVFMXGP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.98
Rot. Bonds7

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide (PubChem CID 3238572) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide
PubChem CID3238572
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C15H23N5O/c1-4-5-6-7-8-16-14(21)10-13-18-15-17-11(2)9-12(3)20(15)19-13/h9H,4-8,10H2,1-3H3,(H,16,21)
InChIKeySZEOKJBCVFMXGP-UHFFFAOYSA-N
XLogP1.98
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide (CID 3238572) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide is CCCCCCNC(=O)Cc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide?
The InChIKey is SZEOKJBCVFMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-5-6-7-8-16-14(21)10-13-18-15-17-11(2)9-12(3)20(15)19-13/h9H,4-8,10H2,1-3H3,(H,16,21).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide has a molecular weight of 289.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide is sourced from PubChem (CID 3238572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).