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

C15H15ClN4O — CID 39080095

IUPAC6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1cccc(OCc2nnc3c(N)cc(Cl)cn23)c1C
InChIInChI=1S/C15H15ClN4O/c1-9-4-3-5-13(10(9)2)21-8-14-18-19-15-12(17)6-11(16)7-20(14)15/h3-7H,8,17H2,1-2H3
InChIKeyLBAVEVPXJQGOTE-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.16
Rot. Bonds3

About 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080095) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080095
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1cccc(OCc2nnc3c(N)cc(Cl)cn23)c1C
InChIInChI=1S/C15H15ClN4O/c1-9-4-3-5-13(10(9)2)21-8-14-18-19-15-12(17)6-11(16)7-20(14)15/h3-7H,8,17H2,1-2H3
InChIKeyLBAVEVPXJQGOTE-UHFFFAOYSA-N
XLogP3.16
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine with MolForge

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Related Compounds

6-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080103
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
CID 39399760
6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080073
7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257259
3-[(2,3-dimethylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 1092713
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117257411
4-[5-[(2,3-dimethylphenoxy)methyl]tetrazol-1-yl]butan-1-amine
CID 84759019
2-[(2,3-dimethylphenoxy)methyl]-1-ethylbenzimidazol-4-amine
CID 82068193
2-[(2,3-dimethylphenoxy)methyl]-1-methyl-4-phenylimidazole
CID 137403215
3-[(2,3-dimethylphenoxy)methyl]-4-ethyl-5-methylsulfanyl-1,2,4-triazole
CID 1153184
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
3-[(4-chlorophenyl)methylsulfanyl]-5-[(2,3-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole
CID 21166405

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080095) is 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Cc1cccc(OCc2nnc3c(N)cc(Cl)cn23)c1C.
What is the InChIKey of 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is LBAVEVPXJQGOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9-4-3-5-13(10(9)2)21-8-14-18-19-15-12(17)6-11(16)7-20(14)15/h3-7H,8,17H2,1-2H3.
What are the key properties of 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 302.77 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2,3-dimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).