6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline

C14H16N4 — CID 55108572

IUPAC6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1-c1nncn1C1CC1)CCCN2
InChIInChI=1S/C14H16N4/c1-2-10-8-11(3-6-13(10)15-7-1)14-17-16-9-18(14)12-4-5-12/h3,6,8-9,12,15H,1-2,4-5,7H2
InChIKeyYNDUDWRZEVZAKM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.64
Rot. Bonds2

About 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline

6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 55108572) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID55108572
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1-c1nncn1C1CC1)CCCN2
InChIInChI=1S/C14H16N4/c1-2-10-8-11(3-6-13(10)15-7-1)14-17-16-9-18(14)12-4-5-12/h3,6,8-9,12,15H,1-2,4-5,7H2
InChIKeyYNDUDWRZEVZAKM-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 55108572) is 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is c1cc2c(cc1-c1nncn1C1CC1)CCCN2.
What is the InChIKey of 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is YNDUDWRZEVZAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-10-8-11(3-6-13(10)15-7-1)14-17-16-9-18(14)12-4-5-12/h3,6,8-9,12,15H,1-2,4-5,7H2.
What are the key properties of 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 240.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 55108572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).