methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate

C17H23N3O2 — CID 172581879

IUPACmethyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Cc2cc(C)c3nc(C)nn3c2)CC1
InChIInChI=1S/C17H23N3O2/c1-11-8-14(10-20-16(11)18-12(2)19-20)9-13-4-6-15(7-5-13)17(21)22-3/h8,10,13,15H,4-7,9H2,1-3H3
InChIKeyBATXZQJIZBGFRN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.87
Rot. Bonds3

About methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate

methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 172581879) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate
PubChem CID172581879
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Namemethyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Cc2cc(C)c3nc(C)nn3c2)CC1
InChIInChI=1S/C17H23N3O2/c1-11-8-14(10-20-16(11)18-12(2)19-20)9-13-4-6-15(7-5-13)17(21)22-3/h8,10,13,15H,4-7,9H2,1-3H3
InChIKeyBATXZQJIZBGFRN-UHFFFAOYSA-N
XLogP2.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate (CID 172581879) is methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(Cc2cc(C)c3nc(C)nn3c2)CC1.
What is the InChIKey of methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is BATXZQJIZBGFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-8-14(10-20-16(11)18-12(2)19-20)9-13-4-6-15(7-5-13)17(21)22-3/h8,10,13,15H,4-7,9H2,1-3H3.
What are the key properties of methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate?
methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 172581879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).