3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide

C17H19ClN6O3 — CID 126678896

IUPAC3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(Cl)c(COc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C17H19ClN6O3/c1-2-24(5-6-25)17(26)10-3-4-12(18)11(7-10)9-27-13-8-14(19)20-16-15(13)21-23-22-16/h3-4,7-8,25H,2,5-6,9H2,1H3,(H3,19,20,21,22,23)
InChIKeyDOPFLMCQDFTQJZ-UHFFFAOYSA-N
MW390.83 g/mol
LogP1.62
Rot. Bonds7

About 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide (PubChem CID 126678896) has the molecular formula C17H19ClN6O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
PubChem CID126678896
Molecular FormulaC17H19ClN6O3
Molecular Weight390.83 g/mol
Exact Mass390.12
IUPAC Name3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(Cl)c(COc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C17H19ClN6O3/c1-2-24(5-6-25)17(26)10-3-4-12(18)11(7-10)9-27-13-8-14(19)20-16-15(13)21-23-22-16/h3-4,7-8,25H,2,5-6,9H2,1H3,(H3,19,20,21,22,23)
InChIKeyDOPFLMCQDFTQJZ-UHFFFAOYSA-N
XLogP1.62
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide
CID 126678910
[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorophenyl]-pyrrolidin-1-ylmethanone
CID 126678868
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
2-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-chlorophenyl]-N,N-dimethylbenzenesulfonamide
CID 126648871
7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 159251011
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 126678981
2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648893
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784
N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60653832
7-[[3-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649084

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide (CID 126678896) is 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide is CCN(CCO)C(=O)c1ccc(Cl)c(COc2cc(N)nc3n[nH]nc23)c1.
What is the InChIKey of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is DOPFLMCQDFTQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O3/c1-2-24(5-6-25)17(26)10-3-4-12(18)11(7-10)9-27-13-8-14(19)20-16-15(13)21-23-22-16/h3-4,7-8,25H,2,5-6,9H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide?
3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 390.83 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 126678896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).