3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine

C15H20N4O — CID 72914194

IUPAC3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOCc1nc(-c2cccnc2)nn1C1CCCCC1
InChIInChI=1S/C15H20N4O/c1-20-11-14-17-15(12-6-5-9-16-10-12)18-19(14)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyAYSYLJZYHXMATB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.99
Rot. Bonds4

About 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine

3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 72914194) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID72914194
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOCc1nc(-c2cccnc2)nn1C1CCCCC1
InChIInChI=1S/C15H20N4O/c1-20-11-14-17-15(12-6-5-9-16-10-12)18-19(14)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyAYSYLJZYHXMATB-UHFFFAOYSA-N
XLogP2.99
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine (CID 72914194) is 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine is COCc1nc(-c2cccnc2)nn1C1CCCCC1.
What is the InChIKey of 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is AYSYLJZYHXMATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-11-14-17-15(12-6-5-9-16-10-12)18-19(14)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3.
What are the key properties of 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine?
3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 272.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclohexyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 72914194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).