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

C16H26N4 — CID 81234902

IUPAC2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCn2c(nnc2C2CCC3CCCCC3N2)C1
InChIInChI=1S/C16H26N4/c1-11-8-9-20-15(10-11)18-19-16(20)14-7-6-12-4-2-3-5-13(12)17-14/h11-14,17H,2-10H2,1H3
InChIKeyCKBWIKLUOKCCJC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.84
Rot. Bonds1

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

2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 81234902) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID81234902
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CCn2c(nnc2C2CCC3CCCCC3N2)C1
InChIInChI=1S/C16H26N4/c1-11-8-9-20-15(10-11)18-19-16(20)14-7-6-12-4-2-3-5-13(12)17-14/h11-14,17H,2-10H2,1H3
InChIKeyCKBWIKLUOKCCJC-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 81234902) is 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC1CCn2c(nnc2C2CCC3CCCCC3N2)C1.
What is the InChIKey of 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is CKBWIKLUOKCCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11-8-9-20-15(10-11)18-19-16(20)14-7-6-12-4-2-3-5-13(12)17-14/h11-14,17H,2-10H2,1H3.
What are the key properties of 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 274.41 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 81234902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).