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

C12H18N6O2 — CID 23524833

IUPACN-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESCCN(CC)CNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C12H18N6O2/c1-3-17(4-2)8-14-10(19)5-9-6-11(20)18-12(16-9)13-7-15-18/h6-7H,3-5,8H2,1-2H3,(H,14,19)(H,13,15,16)
InChIKeyFYDUXQKQWORAAH-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.62
Rot. Bonds6

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

N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide (PubChem CID 23524833) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
PubChem CID23524833
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESCCN(CC)CNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C12H18N6O2/c1-3-17(4-2)8-14-10(19)5-9-6-11(20)18-12(16-9)13-7-15-18/h6-7H,3-5,8H2,1-2H3,(H,14,19)(H,13,15,16)
InChIKeyFYDUXQKQWORAAH-UHFFFAOYSA-N
XLogP-0.62
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[2-(dimethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-N-prop-2-enylacetamide
CID 22160363
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-[[methyl(piperidin-1-yl)amino]methyl]-2-(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)acetamide
CID 22900707

Frequently Asked Questions

What is the IUPAC name of N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide (CID 23524833) is N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide is CCN(CC)CNC(=O)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The InChIKey is FYDUXQKQWORAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-17(4-2)8-14-10(19)5-9-6-11(20)18-12(16-9)13-7-15-18/h6-7H,3-5,8H2,1-2H3,(H,14,19)(H,13,15,16).
What are the key properties of N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide has a molecular weight of 278.32 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylaminomethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 23524833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).