6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C18H27N7 — CID 167902609

IUPAC6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Cn1c(C2CCc3nncn3C2)nnc1N1CC2CCC1C2
InChIInChI=1S/C18H27N7/c1-12(2)8-25-17(14-4-6-16-20-19-11-23(16)10-14)21-22-18(25)24-9-13-3-5-15(24)7-13/h11-15H,3-10H2,1-2H3
InChIKeyLJGBHOYWVUNYDF-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.24
Rot. Bonds4

About 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 167902609) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID167902609
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Cn1c(C2CCc3nncn3C2)nnc1N1CC2CCC1C2
InChIInChI=1S/C18H27N7/c1-12(2)8-25-17(14-4-6-16-20-19-11-23(16)10-14)21-22-18(25)24-9-13-3-5-15(24)7-13/h11-15H,3-10H2,1-2H3
InChIKeyLJGBHOYWVUNYDF-UHFFFAOYSA-N
XLogP2.24
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134224563
5-Tert-butyl-7-(6-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 146338901
2,8-Dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 158002605
1-(cyclopentylmethyl)-4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72842730
1-(cyclopentylmethyl)-4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72906740
1-cyclopentyl-4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72912378
1'-ethyl-4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1,4'-bipiperidine
CID 74249858
1-Ethyl-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 119158547
rac-(1S,4R)-2-[2-(1-tert-butyl-1H-1,2,4-triazol-5-yl)ethyl]-2-azabicyclo[2.2.1]heptane formate
CID 129611671
6-[5-(3-Tert-butylpyrrolidin-1-yl)-4-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 167870502

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 167902609) is 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)Cn1c(C2CCc3nncn3C2)nnc1N1CC2CCC1C2.
What is the InChIKey of 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LJGBHOYWVUNYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-12(2)8-25-17(14-4-6-16-20-19-11-23(16)10-14)21-22-18(25)24-9-13-3-5-15(24)7-13/h11-15H,3-10H2,1-2H3.
What are the key properties of 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 341.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 167902609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).