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

C14H18N4 — CID 83965923

IUPAC6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1cccc(-c2nnc3n2CC(C)CC3N)c1
InChIInChI=1S/C14H18N4/c1-9-4-3-5-11(6-9)13-16-17-14-12(15)7-10(2)8-18(13)14/h3-6,10,12H,7-8,15H2,1-2H3
InChIKeyQLFNUVBXXOWFAE-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.29
Rot. Bonds1

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

6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 83965923) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID83965923
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1cccc(-c2nnc3n2CC(C)CC3N)c1
InChIInChI=1S/C14H18N4/c1-9-4-3-5-11(6-9)13-16-17-14-12(15)7-10(2)8-18(13)14/h3-6,10,12H,7-8,15H2,1-2H3
InChIKeyQLFNUVBXXOWFAE-UHFFFAOYSA-N
XLogP2.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(4-ethylphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965917
3-(3-ethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83966043
3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 83965873
3-(3,4-dimethoxyphenyl)-6-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83966034
3-(6,8,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-7-yl)phenol
CID 167930901
(9S)-3-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-amine
CID 59040894
6-fluoro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83966033
3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150421
5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117150420
2-(3-fluorophenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965505
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[5-(3-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 92757207
2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965478

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 83965923) is 6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Cc1cccc(-c2nnc3n2CC(C)CC3N)c1.
What is the InChIKey of 6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is QLFNUVBXXOWFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-4-3-5-11(6-9)13-16-17-14-12(15)7-10(2)8-18(13)14/h3-6,10,12H,7-8,15H2,1-2H3.
What are the key properties of 6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 242.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 83965923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).