3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C15H20N4 — CID 83965917

IUPAC3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCCc1ccc(-c2nnc3n2CC(C)CC3N)cc1
InChIInChI=1S/C15H20N4/c1-3-11-4-6-12(7-5-11)14-17-18-15-13(16)8-10(2)9-19(14)15/h4-7,10,13H,3,8-9,16H2,1-2H3
InChIKeyQPUBADVMPMSSPV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.55
Rot. Bonds2

About 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 83965917) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID83965917
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCCc1ccc(-c2nnc3n2CC(C)CC3N)cc1
InChIInChI=1S/C15H20N4/c1-3-11-4-6-12(7-5-11)14-17-18-15-13(16)8-10(2)9-19(14)15/h4-7,10,13H,3,8-9,16H2,1-2H3
InChIKeyQPUBADVMPMSSPV-UHFFFAOYSA-N
XLogP2.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine with MolForge

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Related Compounds

6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965923
6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83966033
8-cyclopropyl-3-(4-ethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791994
(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
CID 59545269
3-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117158739
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117153166
3-(bromomethyl)-4-cyclopropyl-5-(4-ethylphenyl)-1,2,4-triazole
CID 113302396
5-(4-ethylphenyl)-1-methyl-1,2,4-triazol-3-amine
CID 84670791
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
CID 112772042
[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 112593050
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
CID 91344204
(9S)-3-(4-bromophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 59892823

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 83965917) is 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is CCc1ccc(-c2nnc3n2CC(C)CC3N)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is QPUBADVMPMSSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-11-4-6-12(7-5-11)14-17-18-15-13(16)8-10(2)9-19(14)15/h4-7,10,13H,3,8-9,16H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 256.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 83965917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).