1-(triazol-1-yl)-3,4-dihydro-2H-quinoline

C11H12N4 — CID 67055696

IUPAC1-(triazol-1-yl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2n1ccnn1
InChIInChI=1S/C11H12N4/c1-2-6-11-10(4-1)5-3-8-14(11)15-9-7-12-13-15/h1-2,4,6-7,9H,3,5,8H2
InChIKeyZIJGFTIHGXUMJD-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.49
Rot. Bonds1

About 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline

1-(triazol-1-yl)-3,4-dihydro-2H-quinoline (PubChem CID 67055696) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(triazol-1-yl)-3,4-dihydro-2H-quinoline
PubChem CID67055696
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name1-(triazol-1-yl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2n1ccnn1
InChIInChI=1S/C11H12N4/c1-2-6-11-10(4-1)5-3-8-14(11)15-9-7-12-13-15/h1-2,4,6-7,9H,3,5,8H2
InChIKeyZIJGFTIHGXUMJD-UHFFFAOYSA-N
XLogP1.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline (CID 67055696) is 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2n1ccnn1.
What is the InChIKey of 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is ZIJGFTIHGXUMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-6-11-10(4-1)5-3-8-14(11)15-9-7-12-13-15/h1-2,4,6-7,9H,3,5,8H2.
What are the key properties of 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline?
1-(triazol-1-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 200.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triazol-1-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 67055696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).