1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine

C18H20N4 — CID 146142352

IUPAC1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine
SMILESCc1ccc(C2(NCc3cccc4ncnn34)CCC2)cc1
InChIInChI=1S/C18H20N4/c1-14-6-8-15(9-7-14)18(10-3-11-18)20-12-16-4-2-5-17-19-13-21-22(16)17/h2,4-9,13,20H,3,10-12H2,1H3
InChIKeyYXXXZMSCGAZUMI-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine

1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine (PubChem CID 146142352) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine
PubChem CID146142352
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine
SMILESCc1ccc(C2(NCc3cccc4ncnn34)CCC2)cc1
InChIInChI=1S/C18H20N4/c1-14-6-8-15(9-7-14)18(10-3-11-18)20-12-16-4-2-5-17-19-13-21-22(16)17/h2,4-9,13,20H,3,10-12H2,1H3
InChIKeyYXXXZMSCGAZUMI-UHFFFAOYSA-N
XLogP3.21
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine (CID 146142352) is 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine is Cc1ccc(C2(NCc3cccc4ncnn34)CCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine?
The InChIKey is YXXXZMSCGAZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-6-8-15(9-7-14)18(10-3-11-18)20-12-16-4-2-5-17-19-13-21-22(16)17/h2,4-9,13,20H,3,10-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine?
1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 146142352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).