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

C12H16N6O2 — CID 22160363

IUPAC2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1cc(=O)n2[nH]c(N(C)C)nc2n1
InChIInChI=1S/C12H16N6O2/c1-4-5-13-9(19)6-8-7-10(20)18-11(14-8)15-12(16-18)17(2)3/h4,7H,1,5-6H2,2-3H3,(H,13,19)(H,14,15,16)
InChIKeyLCRCCCDMFGTCLM-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.67
Rot. Bonds5

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

2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide (PubChem CID 22160363) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide
PubChem CID22160363
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1cc(=O)n2[nH]c(N(C)C)nc2n1
InChIInChI=1S/C12H16N6O2/c1-4-5-13-9(19)6-8-7-10(20)18-11(14-8)15-12(16-18)17(2)3/h4,7H,1,5-6H2,2-3H3,(H,13,19)(H,14,15,16)
InChIKeyLCRCCCDMFGTCLM-UHFFFAOYSA-N
XLogP-0.67
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
CID 19105890
N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
CID 20578701
N-ethyl-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)propanamide
CID 22160344
2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide
CID 22160345
2-(7-Hydroxy-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-dipropylacetamide
CID 22160352
2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
CID 22160353
2-(7-oxo-2-prop-2-enyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-prop-2-enylacetamide
CID 22160359
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]but-3-enamide
CID 22160362
2-(6-cyano-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
CID 22160365
2-(7-Oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-N-propylacetamide
CID 22160367
2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-N,N-bis(prop-2-enyl)acetamide
CID 22160371
N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
CID 23524833

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide (CID 22160363) is 2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cc1cc(=O)n2[nH]c(N(C)C)nc2n1.
What is the InChIKey of 2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide?
The InChIKey is LCRCCCDMFGTCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-4-5-13-9(19)6-8-7-10(20)18-11(14-8)15-12(16-18)17(2)3/h4,7H,1,5-6H2,2-3H3,(H,13,19)(H,14,15,16).
What are the key properties of 2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide?
2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide has a molecular weight of 276.30 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 22160363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).