[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine

C15H16N4O — CID 107041260

IUPAC[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
SMILESCn1cc(COc2ccc3ccccc3c2CN)nn1
InChIInChI=1S/C15H16N4O/c1-19-9-12(17-18-19)10-20-15-7-6-11-4-2-3-5-13(11)14(15)8-16/h2-7,9H,8,10,16H2,1H3
InChIKeyHKVTYJXNTIVCMG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.01
Rot. Bonds4

About [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine

[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine (PubChem CID 107041260) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
PubChem CID107041260
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
SMILESCn1cc(COc2ccc3ccccc3c2CN)nn1
InChIInChI=1S/C15H16N4O/c1-19-9-12(17-18-19)10-20-15-7-6-11-4-2-3-5-13(11)14(15)8-16/h2-7,9H,8,10,16H2,1H3
InChIKeyHKVTYJXNTIVCMG-UHFFFAOYSA-N
XLogP2.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 66140699
8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine
CID 107040861
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine
CID 107040822
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107713246
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
3-[5-methyl-2-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051748

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine?
The IUPAC name of [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine (CID 107041260) is [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine.
What is the SMILES notation for [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine?
The canonical SMILES for [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine is Cn1cc(COc2ccc3ccccc3c2CN)nn1.
What is the InChIKey of [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine?
The InChIKey is HKVTYJXNTIVCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-9-12(17-18-19)10-20-15-7-6-11-4-2-3-5-13(11)14(15)8-16/h2-7,9H,8,10,16H2,1H3.
What are the key properties of [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine?
[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine is sourced from PubChem (CID 107041260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).