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

C12H18N4O — CID 55162388

IUPAC1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine
SMILESCNC(COC)Cc1cc(C)cc2ncnn12
InChIInChI=1S/C12H18N4O/c1-9-4-11(6-10(13-2)7-17-3)16-12(5-9)14-8-15-16/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyXMHYQIHOAFSZHG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.81
Rot. Bonds5

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

1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine (PubChem CID 55162388) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine
PubChem CID55162388
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine
SMILESCNC(COC)Cc1cc(C)cc2ncnn12
InChIInChI=1S/C12H18N4O/c1-9-4-11(6-10(13-2)7-17-3)16-12(5-9)14-8-15-16/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyXMHYQIHOAFSZHG-UHFFFAOYSA-N
XLogP0.81
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)butan-2-amine
CID 63202350
5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 63203897
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-ol
CID 63201068
N-[1-cyclopropyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethyl]propan-1-amine
CID 55202827
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 104624084
5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid
CID 81078165
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103794615
2-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperazin-1-yl]propan-1-amine
CID 63339291
N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 62046630
N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 113222610
N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65029049
4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine
CID 62320365

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine (CID 55162388) is 1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine is CNC(COC)Cc1cc(C)cc2ncnn12.
What is the InChIKey of 1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine?
The InChIKey is XMHYQIHOAFSZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-4-11(6-10(13-2)7-17-3)16-12(5-9)14-8-15-16/h4-5,8,10,13H,6-7H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine?
1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine has a molecular weight of 234.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine is sourced from PubChem (CID 55162388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).