7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C14H18N4O — CID 79248528

IUPAC7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cc(OC)ccc2CCC1n1cncn1
InChIInChI=1S/C14H18N4O/c1-15-14-12-7-11(19-2)5-3-10(12)4-6-13(14)18-9-16-8-17-18/h3,5,7-9,13-15H,4,6H2,1-2H3
InChIKeyGSURYBNSHMUZKE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.73
Rot. Bonds3

About 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79248528) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79248528
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cc(OC)ccc2CCC1n1cncn1
InChIInChI=1S/C14H18N4O/c1-15-14-12-7-11(19-2)5-3-10(12)4-6-13(14)18-9-16-8-17-18/h3,5,7-9,13-15H,4,6H2,1-2H3
InChIKeyGSURYBNSHMUZKE-UHFFFAOYSA-N
XLogP1.73
TPSA51.97 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375175
N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248452
2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375259
2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247695
6-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375507
7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375752
2-N-(cyclopropylmethyl)-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79247986
2-N-cyclopentyl-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79232382
6-methoxy-2-(4-methoxypiperidin-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79370088
2-butan-2-ylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248549
6-methoxy-N-methyl-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79376284

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79248528) is 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2cc(OC)ccc2CCC1n1cncn1.
What is the InChIKey of 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GSURYBNSHMUZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-14-12-7-11(19-2)5-3-10(12)4-6-13(14)18-9-16-8-17-18/h3,5,7-9,13-15H,4,6H2,1-2H3.
What are the key properties of 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 258.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79248528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).