4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol

C13H18N4O — CID 43232806

IUPAC4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)n2ncnc2c1
InChIInChI=1S/C13H18N4O/c1-9-6-12-14-8-15-17(12)13(7-9)16-10-2-4-11(18)5-3-10/h6-8,10-11,16,18H,2-5H2,1H3
InChIKeyJDBBYIPTKQDEOI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.75
Rot. Bonds2

About 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol

4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol (PubChem CID 43232806) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol
PubChem CID43232806
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)n2ncnc2c1
InChIInChI=1S/C13H18N4O/c1-9-6-12-14-8-15-17(12)13(7-9)16-10-2-4-11(18)5-3-10/h6-8,10-11,16,18H,2-5H2,1H3
InChIKeyJDBBYIPTKQDEOI-UHFFFAOYSA-N
XLogP1.75
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol (CID 43232806) is 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol is Cc1cc(NC2CCC(O)CC2)n2ncnc2c1.
What is the InChIKey of 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol?
The InChIKey is JDBBYIPTKQDEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-6-12-14-8-15-17(12)13(7-9)16-10-2-4-11(18)5-3-10/h6-8,10-11,16,18H,2-5H2,1H3.
What are the key properties of 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol?
4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43232806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).