6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine

C14H18N4O — CID 116823436

IUPAC6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
SMILESCOc1ccc(C(C)C)cc1-c1nnc(C)nc1N
InChIInChI=1S/C14H18N4O/c1-8(2)10-5-6-12(19-4)11(7-10)13-14(15)16-9(3)17-18-13/h5-8H,1-4H3,(H2,15,16,17)
InChIKeySKQVXGQIERYMAR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.56
Rot. Bonds3

About 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine

6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine (PubChem CID 116823436) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
PubChem CID116823436
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
SMILESCOc1ccc(C(C)C)cc1-c1nnc(C)nc1N
InChIInChI=1S/C14H18N4O/c1-8(2)10-5-6-12(19-4)11(7-10)13-14(15)16-9(3)17-18-13/h5-8H,1-4H3,(H2,15,16,17)
InChIKeySKQVXGQIERYMAR-UHFFFAOYSA-N
XLogP2.56
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
4-(2-methoxy-5-propan-2-ylphenyl)thiophen-2-amine
CID 82130986
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367
6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 123614236
3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid
CID 98019064
1-methoxy-4-methyl-6-propan-2-ylnaphthalene
CID 101078716
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761434
3-(3-chloro-4-fluorophenyl)-5-(2-methoxy-5-propan-2-ylphenyl)pyridin-2-amine
CID 155552361
6-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82483020

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine (CID 116823436) is 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine is COc1ccc(C(C)C)cc1-c1nnc(C)nc1N.
What is the InChIKey of 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine?
The InChIKey is SKQVXGQIERYMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8(2)10-5-6-12(19-4)11(7-10)13-14(15)16-9(3)17-18-13/h5-8H,1-4H3,(H2,15,16,17).
What are the key properties of 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine?
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine has a molecular weight of 258.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).