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

C13H20N4 — CID 113222610

IUPACN-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCC(C)(C)C)n2ncnc2c1
InChIInChI=1S/C13H20N4/c1-10-7-11(14-6-5-13(2,3)4)17-12(8-10)15-9-16-17/h7-9,14H,5-6H2,1-4H3
InChIKeyDJHYUGURPUBYLL-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.89
Rot. Bonds3

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

N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 113222610) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID113222610
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCC(C)(C)C)n2ncnc2c1
InChIInChI=1S/C13H20N4/c1-10-7-11(14-6-5-13(2,3)4)17-12(8-10)15-9-16-17/h7-9,14H,5-6H2,1-4H3
InChIKeyDJHYUGURPUBYLL-UHFFFAOYSA-N
XLogP2.89
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65028368
2-methyl-1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentan-2-ol
CID 113234752
3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 103705226
7-methyl-N-(2-pyrazol-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 54951187
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 104624084
N,N-dimethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]ethanesulfonamide
CID 106339224
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
N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 60701805
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 66106462

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 113222610) is N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NCCC(C)(C)C)n2ncnc2c1.
What is the InChIKey of N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is DJHYUGURPUBYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-7-11(14-6-5-13(2,3)4)17-12(8-10)15-9-16-17/h7-9,14H,5-6H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 232.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 113222610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).