N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine

C19H24BrN5O2 — CID 12051985

IUPACN-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine
SMILESCCC(CC)n1nnc2c(Nc3c(Br)cc(OC)cc3OC)nc(C)cc21
InChIInChI=1S/C19H24BrN5O2/c1-6-12(7-2)25-15-8-11(3)21-19(18(15)23-24-25)22-17-14(20)9-13(26-4)10-16(17)27-5/h8-10,12H,6-7H2,1-5H3,(H,21,22)
InChIKeyCIEKAZQUKYNZSE-UHFFFAOYSA-N
MW434.34 g/mol
LogP5.02
Rot. Bonds7

About N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine

N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine (PubChem CID 12051985) has the molecular formula C19H24BrN5O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine
PubChem CID12051985
Molecular FormulaC19H24BrN5O2
Molecular Weight434.34 g/mol
Exact Mass433.11
IUPAC NameN-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine
SMILESCCC(CC)n1nnc2c(Nc3c(Br)cc(OC)cc3OC)nc(C)cc21
InChIInChI=1S/C19H24BrN5O2/c1-6-12(7-2)25-15-8-11(3)21-19(18(15)23-24-25)22-17-14(20)9-13(26-4)10-16(17)27-5/h8-10,12H,6-7H2,1-5H3,(H,21,22)
InChIKeyCIEKAZQUKYNZSE-UHFFFAOYSA-N
XLogP5.02
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.34
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine
CID 18629214
4-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
CID 12050981
8-bromo-1-[1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 70026941
5-bromo-4-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-7-methyl-2,3-dihydro-1,4-benzoxazine
CID 57265244
3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 137490685
3-hexan-3-yl-5-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 12051964
8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
CID 18629237
N-(2-bromo-4-propan-2-ylphenyl)-3-heptan-3-yl-5-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 12051943
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)propan-1-ol
CID 82758458
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61377736
(2,4-dimethoxy-6-methylphenyl)-triethoxysilane
CID 59566915

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine (CID 12051985) is N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine is CCC(CC)n1nnc2c(Nc3c(Br)cc(OC)cc3OC)nc(C)cc21.
What is the InChIKey of N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine?
The InChIKey is CIEKAZQUKYNZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O2/c1-6-12(7-2)25-15-8-11(3)21-19(18(15)23-24-25)22-17-14(20)9-13(26-4)10-16(17)27-5/h8-10,12H,6-7H2,1-5H3,(H,21,22).
What are the key properties of N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine?
N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine has a molecular weight of 434.34 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 12051985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).