3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine

C19H24BrN5 — CID 22474385

IUPAC3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine
SMILESCCC(CC)Nc1cc(C)nc2c1nnn2-c1c(C)cc(Br)cc1C
InChIInChI=1S/C19H24BrN5/c1-6-15(7-2)22-16-10-13(5)21-19-17(16)23-24-25(19)18-11(3)8-14(20)9-12(18)4/h8-10,15H,6-7H2,1-5H3,(H,21,22)
InChIKeyZYQNWNAOTMJKQB-UHFFFAOYSA-N
MW402.34 g/mol
LogP5.10
Rot. Bonds5

About 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine

3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine (PubChem CID 22474385) has the molecular formula C19H24BrN5 and a molecular weight of 402.34 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine
PubChem CID22474385
Molecular FormulaC19H24BrN5
Molecular Weight402.34 g/mol
Exact Mass401.12
IUPAC Name3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine
SMILESCCC(CC)Nc1cc(C)nc2c1nnn2-c1c(C)cc(Br)cc1C
InChIInChI=1S/C19H24BrN5/c1-6-15(7-2)22-16-10-13(5)21-19-17(16)23-24-25(19)18-11(3)8-14(20)9-12(18)4/h8-10,15H,6-7H2,1-5H3,(H,21,22)
InChIKeyZYQNWNAOTMJKQB-UHFFFAOYSA-N
XLogP5.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.34
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine
CID 10862079
N-heptan-4-yl-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 10808915
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
2,5,6-trimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[3,4-b]pyridin-4-amine
CID 22474412
1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine
CID 22474336
4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline
CID 55191771
methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate
CID 24806876
1-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103086418
ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 154682760
4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine
CID 104757851
4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline
CID 63448812
2,5-dimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine
CID 22474402

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine (CID 22474385) is 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine is CCC(CC)Nc1cc(C)nc2c1nnn2-c1c(C)cc(Br)cc1C.
What is the InChIKey of 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine?
The InChIKey is ZYQNWNAOTMJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5/c1-6-15(7-2)22-16-10-13(5)21-19-17(16)23-24-25(19)18-11(3)8-14(20)9-12(18)4/h8-10,15H,6-7H2,1-5H3,(H,21,22).
What are the key properties of 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine?
3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine has a molecular weight of 402.34 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dimethylphenyl)-5-methyl-N-pentan-3-yltriazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 22474385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).