methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C14H21N3O2 — CID 82568096

IUPACmethyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2nc(C3CCCCC3)nn21
InChIInChI=1S/C14H21N3O2/c1-19-14(18)11-8-5-9-12-15-13(16-17(11)12)10-6-3-2-4-7-10/h10-11H,2-9H2,1H3
InChIKeyWWQSFCMAYWPTOG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds2

About methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 82568096) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID82568096
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2nc(C3CCCCC3)nn21
InChIInChI=1S/C14H21N3O2/c1-19-14(18)11-8-5-9-12-15-13(16-17(11)12)10-6-3-2-4-7-10/h10-11H,2-9H2,1H3
InChIKeyWWQSFCMAYWPTOG-UHFFFAOYSA-N
XLogP2.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568091
methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567962
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568086
2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117154731
2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 83867314
methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247803
methyl 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylate
CID 117128368
2-(1-ethylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117155378
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82567904
2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 55111659
2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117154856
methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
CID 81002268

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 82568096) is methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)C1CCCc2nc(C3CCCCC3)nn21.
What is the InChIKey of methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is WWQSFCMAYWPTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14(18)11-8-5-9-12-15-13(16-17(11)12)10-6-3-2-4-7-10/h10-11H,2-9H2,1H3.
What are the key properties of methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 82568096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).