methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate

C14H12ClN5O3 — CID 126648880

IUPACmethyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate
SMILESCOC(=O)c1cccc(COc2cc(N)nc3n[nH]nc23)c1Cl
InChIInChI=1S/C14H12ClN5O3/c1-22-14(21)8-4-2-3-7(11(8)15)6-23-9-5-10(16)17-13-12(9)18-20-19-13/h2-5H,6H2,1H3,(H3,16,17,18,19,20)
InChIKeyMDUXERKNLLADLU-UHFFFAOYSA-N
MW333.74 g/mol
LogP1.95
Rot. Bonds4

About methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate

methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate (PubChem CID 126648880) has the molecular formula C14H12ClN5O3 and a molecular weight of 333.74 g/mol. Its IUPAC name is methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate
PubChem CID126648880
Molecular FormulaC14H12ClN5O3
Molecular Weight333.74 g/mol
Exact Mass333.06
IUPAC Namemethyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate
SMILESCOC(=O)c1cccc(COc2cc(N)nc3n[nH]nc23)c1Cl
InChIInChI=1S/C14H12ClN5O3/c1-22-14(21)8-4-2-3-7(11(8)15)6-23-9-5-10(16)17-13-12(9)18-20-19-13/h2-5H,6H2,1H3,(H3,16,17,18,19,20)
InChIKeyMDUXERKNLLADLU-UHFFFAOYSA-N
XLogP1.95
TPSA116.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649071
2-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-chlorophenyl]-N,N-dimethylbenzenesulfonamide
CID 126648871
7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649157
7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648893
7-[[3-(4-phenylphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649018
[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorophenyl]-pyrrolidin-1-ylmethanone
CID 126678868
methyl 2-chloro-3-(3-methoxy-3-oxopropyl)benzoate
CID 134648997
7-[(2-methyl-4-pyridin-3-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 160912493
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
7-[[3-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649084
7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145039452

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate?
The IUPAC name of methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate (CID 126648880) is methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate.
What is the SMILES notation for methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate?
The canonical SMILES for methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate is COC(=O)c1cccc(COc2cc(N)nc3n[nH]nc23)c1Cl.
What is the InChIKey of methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate?
The InChIKey is MDUXERKNLLADLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O3/c1-22-14(21)8-4-2-3-7(11(8)15)6-23-9-5-10(16)17-13-12(9)18-20-19-13/h2-5H,6H2,1H3,(H3,16,17,18,19,20).
What are the key properties of methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate?
methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate has a molecular weight of 333.74 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate is sourced from PubChem (CID 126648880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).