1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone

C7H10N4O — CID 131067374

IUPAC1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
SMILESCC(=O)N1CCCc2n[nH]nc21
InChIInChI=1S/C7H10N4O/c1-5(12)11-4-2-3-6-7(11)9-10-8-6/h2-4H2,1H3,(H,8,9,10)
InChIKeyLLXYHPNGIPTMHD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.10
Rot. Bonds

About 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone

1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone (PubChem CID 131067374) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
PubChem CID131067374
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
SMILESCC(=O)N1CCCc2n[nH]nc21
InChIInChI=1S/C7H10N4O/c1-5(12)11-4-2-3-6-7(11)9-10-8-6/h2-4H2,1H3,(H,8,9,10)
InChIKeyLLXYHPNGIPTMHD-UHFFFAOYSA-N
XLogP0.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
CID 130671600
[(1S,2S,4R)-2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone
CID 166272647
2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
CID 154861032
(1-pyrazin-2-ylpiperidin-4-yl)-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)methanone
CID 154795027
2-(2-cyclopropyl-1,3-thiazol-4-yl)-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
CID 154866394
4-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid
CID 167728963
1-[2-(nitromethylidene)pyrrolidin-1-yl]ethanone
CID 154096114
1-acetylazonan-2-one
CID 19035113
1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone
CID 82403408
1-acetylazepan-2-one;methane
CID 158348937
ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 90757804
ethane;1-(3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepin-5-yl)propan-1-one
CID 144955053

Frequently Asked Questions

What is the IUPAC name of 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
The IUPAC name of 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone (CID 131067374) is 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone.
What is the SMILES notation for 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
The canonical SMILES for 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone is CC(=O)N1CCCc2n[nH]nc21.
What is the InChIKey of 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
The InChIKey is LLXYHPNGIPTMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5(12)11-4-2-3-6-7(11)9-10-8-6/h2-4H2,1H3,(H,8,9,10).
What are the key properties of 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone has a molecular weight of 166.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone is sourced from PubChem (CID 131067374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).