methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C14H17N3O3 — CID 103558070

IUPACmethyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(CC3(OC)CCC3)n2c1
InChIInChI=1S/C14H17N3O3/c1-19-13(18)10-4-5-11-15-16-12(17(11)9-10)8-14(20-2)6-3-7-14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyBPAGRKXBPLFRQJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.63
Rot. Bonds4

About methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 103558070) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID103558070
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(CC3(OC)CCC3)n2c1
InChIInChI=1S/C14H17N3O3/c1-19-13(18)10-4-5-11-15-16-12(17(11)9-10)8-14(20-2)6-3-7-14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyBPAGRKXBPLFRQJ-UHFFFAOYSA-N
XLogP1.63
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 103558070) is methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is COC(=O)c1ccc2nnc(CC3(OC)CCC3)n2c1.
What is the InChIKey of methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is BPAGRKXBPLFRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-13(18)10-4-5-11-15-16-12(17(11)9-10)8-14(20-2)6-3-7-14/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methoxycyclobutyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 103558070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).