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

C13H15N5O2 — CID 22160359

IUPAC2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1cc(=O)n2[nH]c(CC=C)nc2n1
InChIInChI=1S/C13H15N5O2/c1-3-5-10-16-13-15-9(7-11(19)14-6-4-2)8-12(20)18(13)17-10/h3-4,8H,1-2,5-7H2,(H,14,19)(H,15,16,17)
InChIKeyGHAFHRCMGMGJNJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.01
Rot. Bonds6

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

2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide (PubChem CID 22160359) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide
PubChem CID22160359
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1cc(=O)n2[nH]c(CC=C)nc2n1
InChIInChI=1S/C13H15N5O2/c1-3-5-10-16-13-15-9(7-11(19)14-6-4-2)8-12(20)18(13)17-10/h3-4,8H,1-2,5-7H2,(H,14,19)(H,15,16,17)
InChIKeyGHAFHRCMGMGJNJ-UHFFFAOYSA-N
XLogP-0.01
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide (CID 22160359) is 2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1cc(=O)n2[nH]c(CC=C)nc2n1.
What is the InChIKey of 2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide?
The InChIKey is GHAFHRCMGMGJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-5-10-16-13-15-9(7-11(19)14-6-4-2)8-12(20)18(13)17-10/h3-4,8H,1-2,5-7H2,(H,14,19)(H,15,16,17).
What are the key properties of 2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide?
2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide has a molecular weight of 273.30 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 22160359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).