methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate

C19H21N5O2 — CID 135308157

IUPACmethyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cc3nnn(CC4CCCCC4)c3cn2)c1
InChIInChI=1S/C19H21N5O2/c1-26-19(25)14-7-8-20-15(9-14)16-10-17-18(11-21-16)24(23-22-17)12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3
InChIKeyWRBQSOIEBVALIW-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.26
Rot. Bonds4

About methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate

methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate (PubChem CID 135308157) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate
PubChem CID135308157
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Namemethyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cc3nnn(CC4CCCCC4)c3cn2)c1
InChIInChI=1S/C19H21N5O2/c1-26-19(25)14-7-8-20-15(9-14)16-10-17-18(11-21-16)24(23-22-17)12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3
InChIKeyWRBQSOIEBVALIW-UHFFFAOYSA-N
XLogP3.26
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate (CID 135308157) is methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-c2cc3nnn(CC4CCCCC4)c3cn2)c1.
What is the InChIKey of methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate?
The InChIKey is WRBQSOIEBVALIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-19(25)14-7-8-20-15(9-14)16-10-17-18(11-21-16)24(23-22-17)12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3.
What are the key properties of methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate?
methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclohexylmethyl)triazolo[4,5-c]pyridin-6-yl]pyridine-4-carboxylate is sourced from PubChem (CID 135308157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).