methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate

C14H15N5O3 — CID 126680549

IUPACmethyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COc2cc(N)nc3c2NNN3)c1
InChIInChI=1S/C14H15N5O3/c1-21-14(20)9-4-2-3-8(5-9)7-22-10-6-11(15)16-13-12(10)17-19-18-13/h2-6,17,19H,7H2,1H3,(H3,15,16,18)
InChIKeyNVEZSOICMPBISE-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.29
Rot. Bonds4

About methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate

methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate (PubChem CID 126680549) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate
PubChem CID126680549
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Namemethyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COc2cc(N)nc3c2NNN3)c1
InChIInChI=1S/C14H15N5O3/c1-21-14(20)9-4-2-3-8(5-9)7-22-10-6-11(15)16-13-12(10)17-19-18-13/h2-6,17,19H,7H2,1H3,(H3,15,16,18)
InChIKeyNVEZSOICMPBISE-UHFFFAOYSA-N
XLogP1.29
TPSA110.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate with MolForge

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Related Compounds

methyl 3-[(3,6-diamino-2-hydrazinyl-4-pyridinyl)oxymethyl]benzoate
CID 126680550
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
methyl 4-amino-3-[(3-methylphenyl)methoxy]benzoate
CID 43380191
7-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678778
methyl 3-[[2-(difluoromethyl)phenoxy]methyl]benzoate
CID 155146099
methyl 3-[[2-(2-methylprop-1-enyl)phenoxy]methyl]benzoate
CID 10827780
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
methyl 3-(2-aminoethyl)benzoate
CID 10511548
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
methyl 4-amino-3-[(3,4-dichlorophenyl)methoxy]benzoate
CID 43380152
methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate
CID 78760155
methyl 3-[[2-chloro-4-(cyanomethyl)phenoxy]methyl]benzoate
CID 170886339

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate?
The IUPAC name of methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate (CID 126680549) is methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate is COC(=O)c1cccc(COc2cc(N)nc3c2NNN3)c1.
What is the InChIKey of methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate?
The InChIKey is NVEZSOICMPBISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-21-14(20)9-4-2-3-8(5-9)7-22-10-6-11(15)16-13-12(10)17-19-18-13/h2-6,17,19H,7H2,1H3,(H3,15,16,18).
What are the key properties of methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate?
methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate has a molecular weight of 301.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-2,3-dihydro-1H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoate is sourced from PubChem (CID 126680549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).