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

C9H12N6O2 — CID 19105890

IUPACN-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESNCCNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C9H12N6O2/c10-1-2-11-7(16)3-6-4-8(17)15-9(14-6)12-5-13-15/h4-5H,1-3,10H2,(H,11,16)(H,12,13,14)
InChIKeyDPRFWDNCCFKWGE-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.97
Rot. Bonds4

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

N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide (PubChem CID 19105890) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
PubChem CID19105890
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC NameN-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESNCCNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C9H12N6O2/c10-1-2-11-7(16)3-6-4-8(17)15-9(14-6)12-5-13-15/h4-5H,1-3,10H2,(H,11,16)(H,12,13,14)
InChIKeyDPRFWDNCCFKWGE-UHFFFAOYSA-N
XLogP-1.97
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide (CID 19105890) is N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide is NCCNC(=O)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The InChIKey is DPRFWDNCCFKWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c10-1-2-11-7(16)3-6-4-8(17)15-9(14-6)12-5-13-15/h4-5H,1-3,10H2,(H,11,16)(H,12,13,14).
What are the key properties of N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide has a molecular weight of 236.23 g/mol, XLogP of -1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 19105890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).