4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

C15H18N4 — CID 81057890

IUPAC4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2c1nnc2n1CCCC2
InChIInChI=1S/C15H18N4/c1-2-6-12-11(5-1)9-16-10-13(12)15-18-17-14-7-3-4-8-19(14)15/h1-2,5-6,13,16H,3-4,7-10H2
InChIKeyJYMCMNIRFUARSJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.85
Rot. Bonds1

About 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 81057890) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID81057890
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2c1nnc2n1CCCC2
InChIInChI=1S/C15H18N4/c1-2-6-12-11(5-1)9-16-10-13(12)15-18-17-14-7-3-4-8-19(14)15/h1-2,5-6,13,16H,3-4,7-10H2
InChIKeyJYMCMNIRFUARSJ-UHFFFAOYSA-N
XLogP1.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 81057890) is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNCC2c1nnc2n1CCCC2.
What is the InChIKey of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JYMCMNIRFUARSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-6-12-11(5-1)9-16-10-13(12)15-18-17-14-7-3-4-8-19(14)15/h1-2,5-6,13,16H,3-4,7-10H2.
What are the key properties of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 254.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 81057890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).