triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate

C15H13N5O2 — CID 153388660

IUPACtriazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate
SMILESO=C(On1nnc2cccnc21)c1ccc2c(c1)NCCC2
InChIInChI=1S/C15H13N5O2/c21-15(11-6-5-10-3-1-7-16-13(10)9-11)22-20-14-12(18-19-20)4-2-8-17-14/h2,4-6,8-9,16H,1,3,7H2
InChIKeyWUPFVBLQUJMPLK-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.45
Rot. Bonds2

About triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate

triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate (PubChem CID 153388660) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate.

Molecular Properties

Compound Nametriazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate
PubChem CID153388660
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Nametriazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate
SMILESO=C(On1nnc2cccnc21)c1ccc2c(c1)NCCC2
InChIInChI=1S/C15H13N5O2/c21-15(11-6-5-10-3-1-7-16-13(10)9-11)22-20-14-12(18-19-20)4-2-8-17-14/h2,4-6,8-9,16H,1,3,7H2
InChIKeyWUPFVBLQUJMPLK-UHFFFAOYSA-N
XLogP1.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate?
The IUPAC name of triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate (CID 153388660) is triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate.
What is the SMILES notation for triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate?
The canonical SMILES for triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate is O=C(On1nnc2cccnc21)c1ccc2c(c1)NCCC2.
What is the InChIKey of triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate?
The InChIKey is WUPFVBLQUJMPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-15(11-6-5-10-3-1-7-16-13(10)9-11)22-20-14-12(18-19-20)4-2-8-17-14/h2,4-6,8-9,16H,1,3,7H2.
What are the key properties of triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate?
triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate is sourced from PubChem (CID 153388660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).