7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C11H10ClN3 — CID 162647396

IUPAC7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1ccc(Cl)cc1CC2
InChIInChI=1S/C11H10ClN3/c1-7-13-14-11-5-2-8-6-9(12)3-4-10(8)15(7)11/h3-4,6H,2,5H2,1H3
InChIKeyMTPXYAQFMCPBKH-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.33
Rot. Bonds

About 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 162647396) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID162647396
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1ccc(Cl)cc1CC2
InChIInChI=1S/C11H10ClN3/c1-7-13-14-11-5-2-8-6-9(12)3-4-10(8)15(7)11/h3-4,6H,2,5H2,1H3
InChIKeyMTPXYAQFMCPBKH-UHFFFAOYSA-N
XLogP2.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 162647396) is 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Cc1nnc2n1-c1ccc(Cl)cc1CC2.
What is the InChIKey of 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is MTPXYAQFMCPBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-7-13-14-11-5-2-8-6-9(12)3-4-10(8)15(7)11/h3-4,6H,2,5H2,1H3.
What are the key properties of 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 219.68 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 162647396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).