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

C8H9N5O2 — CID 54372818

IUPACN-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)n2cn[nH]c2n1
InChIInChI=1S/C8H9N5O2/c1-5(14)9-3-6-2-7(15)13-4-10-12-8(13)11-6/h2,4H,3H2,1H3,(H,9,14)(H,11,12)
InChIKeyUUKITIABRABQJA-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.95
Rot. Bonds2

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

N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide (PubChem CID 54372818) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide
PubChem CID54372818
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC NameN-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)n2cn[nH]c2n1
InChIInChI=1S/C8H9N5O2/c1-5(14)9-3-6-2-7(15)13-4-10-12-8(13)11-6/h2,4H,3H2,1H3,(H,9,14)(H,11,12)
InChIKeyUUKITIABRABQJA-UHFFFAOYSA-N
XLogP-0.95
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 22160351
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]but-3-enamide
CID 22160362
N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]but-3-enamide
CID 54049598
7-[(hexadecylamino)methyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
CID 68113440
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dihydroimidazole-1-carboxamide
CID 136600306
1-[2-[bis(prop-2-enyl)amino]ethyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 136627417
N-butyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17583593
5-[[2-aminoethyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62688101
5-[[methyl(2-piperazin-1-ylethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63265821
5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 64083656
5-[[azetidin-3-yl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66187822
5-[[methyl-[3-(methylamino)propyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 80398182

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide?
The IUPAC name of N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide (CID 54372818) is N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide?
The canonical SMILES for N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide is CC(=O)NCc1cc(=O)n2cn[nH]c2n1.
What is the InChIKey of N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide?
The InChIKey is UUKITIABRABQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-5(14)9-3-6-2-7(15)13-4-10-12-8(13)11-6/h2,4H,3H2,1H3,(H,9,14)(H,11,12).
What are the key properties of N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide?
N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide has a molecular weight of 207.19 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)methyl]acetamide is sourced from PubChem (CID 54372818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).