2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide

C13H19N5O2 — CID 22160352

IUPAC2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C13H19N5O2/c1-3-5-17(6-4-2)11(19)7-10-8-12(20)18-13(16-10)14-9-15-18/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyKXNPFABAHLRJCS-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.61
Rot. Bonds6

About 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide

2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide (PubChem CID 22160352) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide
PubChem CID22160352
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C13H19N5O2/c1-3-5-17(6-4-2)11(19)7-10-8-12(20)18-13(16-10)14-9-15-18/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyKXNPFABAHLRJCS-UHFFFAOYSA-N
XLogP0.61
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide (CID 22160352) is 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide?
The InChIKey is KXNPFABAHLRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-5-17(6-4-2)11(19)7-10-8-12(20)18-13(16-10)14-9-15-18/h8-9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide?
2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide has a molecular weight of 277.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 22160352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).