5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H14Cl2N4O — CID 82557769

IUPAC5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC1CCC(c2cccc(Cl)c2Cl)n2nc(N)nc21
InChIInChI=1S/C13H14Cl2N4O/c1-20-10-6-5-9(19-12(10)17-13(16)18-19)7-3-2-4-8(14)11(7)15/h2-4,9-10H,5-6H2,1H3,(H2,16,18)
InChIKeySQHXTSWGNKVGTN-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.24
Rot. Bonds2

About 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557769) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557769
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC1CCC(c2cccc(Cl)c2Cl)n2nc(N)nc21
InChIInChI=1S/C13H14Cl2N4O/c1-20-10-6-5-9(19-12(10)17-13(16)18-19)7-3-2-4-8(14)11(7)15/h2-4,9-10H,5-6H2,1H3,(H2,16,18)
InChIKeySQHXTSWGNKVGTN-UHFFFAOYSA-N
XLogP3.24
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557769) is 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COC1CCC(c2cccc(Cl)c2Cl)n2nc(N)nc21.
What is the InChIKey of 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SQHXTSWGNKVGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-20-10-6-5-9(19-12(10)17-13(16)18-19)7-3-2-4-8(14)11(7)15/h2-4,9-10H,5-6H2,1H3,(H2,16,18).
What are the key properties of 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 313.19 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).