1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

C8H8N4O — CID 1480410

IUPAC1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2ncnn2c1C
InChIInChI=1S/C8H8N4O/c1-5-7(6(2)13)3-9-8-10-4-11-12(5)8/h3-4H,1-2H3
InChIKeyKACMXSAOBZQIQW-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.64
Rot. Bonds1

About 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 1480410) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID1480410
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2ncnn2c1C
InChIInChI=1S/C8H8N4O/c1-5-7(6(2)13)3-9-8-10-4-11-12(5)8/h3-4H,1-2H3
InChIKeyKACMXSAOBZQIQW-UHFFFAOYSA-N
XLogP0.64
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 639252
8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 1476963
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
1-(2,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 666677
1-[7-Methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2041236
6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2981519
1-(4-Methyl-5-pyrimidinyl)ethanone
CID 13147450
6,6-dimethyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 1859050
2-Methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 2029063
1-[2-(Methoxymethyl)-7-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 28284498
2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-5-pyrimidinecarboxamide
CID 72838440
(E)-3-(dimethylamino)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)prop-2-en-1-one
CID 5715483

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 1480410) is 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)c1cnc2ncnn2c1C.
What is the InChIKey of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is KACMXSAOBZQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-7(6(2)13)3-9-8-10-4-11-12(5)8/h3-4H,1-2H3.
What are the key properties of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 176.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 1480410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).