[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine

C14H20N4O — CID 82484705

IUPAC[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(C(C)C)cc1-c1nc(CN)n(C)n1
InChIInChI=1S/C14H20N4O/c1-9(2)10-5-6-12(19-4)11(7-10)14-16-13(8-15)18(3)17-14/h5-7,9H,8,15H2,1-4H3
InChIKeyXDTYEUAIPIUJGV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.07
Rot. Bonds4

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

[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82484705) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82484705
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(C(C)C)cc1-c1nc(CN)n(C)n1
InChIInChI=1S/C14H20N4O/c1-9(2)10-5-6-12(19-4)11(7-10)14-16-13(8-15)18(3)17-14/h5-7,9H,8,15H2,1-4H3
InChIKeyXDTYEUAIPIUJGV-UHFFFAOYSA-N
XLogP2.07
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82485568
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96665567
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761434
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98019625
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665628
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine (CID 82484705) is [5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine is COc1ccc(C(C)C)cc1-c1nc(CN)n(C)n1.
What is the InChIKey of [5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is XDTYEUAIPIUJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)10-5-6-12(19-4)11(7-10)14-16-13(8-15)18(3)17-14/h5-7,9H,8,15H2,1-4H3.
What are the key properties of [5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82484705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).