[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone

C13H16N4O2S — CID 131649972

IUPAC[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
SMILESCOCC1CN(C(=O)c2ccsc2)Cc2nnn(C)c21
InChIInChI=1S/C13H16N4O2S/c1-16-12-10(7-19-2)5-17(6-11(12)14-15-16)13(18)9-3-4-20-8-9/h3-4,8,10H,5-7H2,1-2H3
InChIKeyUQZLGZNPNDYYGZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.26
Rot. Bonds3

About [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone

[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone (PubChem CID 131649972) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
PubChem CID131649972
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
SMILESCOCC1CN(C(=O)c2ccsc2)Cc2nnn(C)c21
InChIInChI=1S/C13H16N4O2S/c1-16-12-10(7-19-2)5-17(6-11(12)14-15-16)13(18)9-3-4-20-8-9/h3-4,8,10H,5-7H2,1-2H3
InChIKeyUQZLGZNPNDYYGZ-UHFFFAOYSA-N
XLogP1.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 97383259
[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 97383270
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97468491
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 131657777
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone
CID 131684635
[(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
CID 97468059
[1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(4-methylthiophen-2-yl)methanone
CID 155874434
[(7S)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-thiophen-3-ylmethanone
CID 97463321
1-[1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 131644405
(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 131663093
[(7R)-7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97368921
[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone
CID 97382674

Frequently Asked Questions

What is the IUPAC name of [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The IUPAC name of [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone (CID 131649972) is [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone is COCC1CN(C(=O)c2ccsc2)Cc2nnn(C)c21.
What is the InChIKey of [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The InChIKey is UQZLGZNPNDYYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-16-12-10(7-19-2)5-17(6-11(12)14-15-16)13(18)9-3-4-20-8-9/h3-4,8,10H,5-7H2,1-2H3.
What are the key properties of [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone has a molecular weight of 292.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 131649972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).