2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide

C13H15N5O2 — CID 22160371

IUPAC2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cc1cc(=O)n2cn[nH]c2n1
InChIInChI=1S/C13H15N5O2/c1-3-5-17(6-4-2)11(19)7-10-8-12(20)18-9-14-16-13(18)15-10/h3-4,8-9H,1-2,5-7H2,(H,15,16)
InChIKeyPRKZCAXGXKPFLP-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.16
Rot. Bonds6

About 2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide

2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 22160371) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID22160371
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cc1cc(=O)n2cn[nH]c2n1
InChIInChI=1S/C13H15N5O2/c1-3-5-17(6-4-2)11(19)7-10-8-12(20)18-9-14-16-13(18)15-10/h3-4,8-9H,1-2,5-7H2,(H,15,16)
InChIKeyPRKZCAXGXKPFLP-UHFFFAOYSA-N
XLogP0.16
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
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-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide (CID 22160371) is 2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cc1cc(=O)n2cn[nH]c2n1.
What is the InChIKey of 2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is PRKZCAXGXKPFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-5-17(6-4-2)11(19)7-10-8-12(20)18-9-14-16-13(18)15-10/h3-4,8-9H,1-2,5-7H2,(H,15,16).
What are the key properties of 2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide?
2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 273.30 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 22160371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).