[1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine

C14H20N4 — CID 82478670

IUPAC[1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(-n2nc(CN)nc2C(C)C)cc1C
InChIInChI=1S/C14H20N4/c1-9(2)14-16-13(8-15)17-18(14)12-6-5-10(3)11(4)7-12/h5-7,9H,8,15H2,1-4H3
InChIKeyOZEWFYXGBJLHBG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.47
Rot. Bonds3

About [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine

[1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82478670) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
PubChem CID82478670
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(-n2nc(CN)nc2C(C)C)cc1C
InChIInChI=1S/C14H20N4/c1-9(2)14-16-13(8-15)17-18(14)12-6-5-10(3)11(4)7-12/h5-7,9H,8,15H2,1-4H3
InChIKeyOZEWFYXGBJLHBG-UHFFFAOYSA-N
XLogP2.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,3-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 82478674
2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82490017
[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82093871
3-chloro-4-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazole
CID 63384844
5-(aminomethyl)-2-(4-bromo-3-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 84610573
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
4-[(1S)-1-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]propyl]morpholine
CID 95126549
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine
CID 82085843
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 82527606
[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482823
1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308016

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine (CID 82478670) is [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine is Cc1ccc(-n2nc(CN)nc2C(C)C)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is OZEWFYXGBJLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9(2)14-16-13(8-15)17-18(14)12-6-5-10(3)11(4)7-12/h5-7,9H,8,15H2,1-4H3.
What are the key properties of [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
[1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82478670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).