3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C16H18N4O — CID 82061219

IUPAC3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1ccc(C)c(OCc2nnc3c(N)c(C)ccn23)c1
InChIInChI=1S/C16H18N4O/c1-10-4-5-11(2)13(8-10)21-9-14-18-19-16-15(17)12(3)6-7-20(14)16/h4-8H,9,17H2,1-3H3
InChIKeyDDIQKHRLLMJPOT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.82
Rot. Bonds3

About 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 82061219) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID82061219
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1ccc(C)c(OCc2nnc3c(N)c(C)ccn23)c1
InChIInChI=1S/C16H18N4O/c1-10-4-5-11(2)13(8-10)21-9-14-18-19-16-15(17)12(3)6-7-20(14)16/h4-8H,9,17H2,1-3H3
InChIKeyDDIQKHRLLMJPOT-UHFFFAOYSA-N
XLogP2.82
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine with MolForge

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Related Compounds

3-[(2,5-dimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39374269
2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
CID 79250809
5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779
3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559841
(2,5-dimethylphenoxy)methanamine
CID 89376053
4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201519
7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257259
6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080095
5-[(2,5-dimethylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 3854887
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117256976
1,4-dimethyl-2-pentoxybenzene
CID 59184214

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 82061219) is 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Cc1ccc(C)c(OCc2nnc3c(N)c(C)ccn23)c1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is DDIQKHRLLMJPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-4-5-11(2)13(8-10)21-9-14-18-19-16-15(17)12(3)6-7-20(14)16/h4-8H,9,17H2,1-3H3.
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 282.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 82061219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).