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

C9H11N5O2 — CID 20578701

IUPACN-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESCCNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C9H11N5O2/c1-2-10-7(15)3-6-4-8(16)14-9(13-6)11-5-12-14/h4-5H,2-3H2,1H3,(H,10,15)(H,11,12,13)
InChIKeyWPSDKBJROFCMFT-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.90
Rot. Bonds3

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

N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide (PubChem CID 20578701) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
PubChem CID20578701
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC NameN-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESCCNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C9H11N5O2/c1-2-10-7(15)3-6-4-8(16)14-9(13-6)11-5-12-14/h4-5H,2-3H2,1H3,(H,10,15)(H,11,12,13)
InChIKeyWPSDKBJROFCMFT-UHFFFAOYSA-N
XLogP-0.90
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(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
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 22160351
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-(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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The IUPAC name of N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide (CID 20578701) is N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide is CCNC(=O)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The InChIKey is WPSDKBJROFCMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-2-10-7(15)3-6-4-8(16)14-9(13-6)11-5-12-14/h4-5H,2-3H2,1H3,(H,10,15)(H,11,12,13).
What are the key properties of N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide has a molecular weight of 221.22 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 20578701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).