N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C14H22N4O — CID 104624084

IUPACN-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCOCCC(C)(C)CNc1cc(C)cc2ncnn12
InChIInChI=1S/C14H22N4O/c1-11-7-12(18-13(8-11)16-10-17-18)15-9-14(2,3)5-6-19-4/h7-8,10,15H,5-6,9H2,1-4H3
InChIKeyAXMXDLFPKGZWFF-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.51
Rot. Bonds6

About N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 104624084) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID104624084
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCOCCC(C)(C)CNc1cc(C)cc2ncnn12
InChIInChI=1S/C14H22N4O/c1-11-7-12(18-13(8-11)16-10-17-18)15-9-14(2,3)5-6-19-4/h7-8,10,15H,5-6,9H2,1-4H3
InChIKeyAXMXDLFPKGZWFF-UHFFFAOYSA-N
XLogP2.51
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 103705226
2-methyl-1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentan-2-ol
CID 113234752
N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 113222610
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103794615
7-methyl-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103725041
7-methyl-N-(2-piperidin-4-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 63871172
7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 54942729
2-[2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]ethoxy]acetamide
CID 114162629
5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid
CID 81078165
N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65028368
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 66106462
3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid
CID 65226758

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 104624084) is N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is COCCC(C)(C)CNc1cc(C)cc2ncnn12.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is AXMXDLFPKGZWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-7-12(18-13(8-11)16-10-17-18)15-9-14(2,3)5-6-19-4/h7-8,10,15H,5-6,9H2,1-4H3.
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 262.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 104624084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).