[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine

C11H14N4O — CID 107040773

IUPAC[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cc(COc2ccc(CN)cc2)nn1
InChIInChI=1S/C11H14N4O/c1-15-7-10(13-14-15)8-16-11-4-2-9(6-12)3-5-11/h2-5,7H,6,8,12H2,1H3
InChIKeyAQAYSYLFEXAGBT-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.85
Rot. Bonds4

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

[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 107040773) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
PubChem CID107040773
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cc(COc2ccc(CN)cc2)nn1
InChIInChI=1S/C11H14N4O/c1-15-7-10(13-14-15)8-16-11-4-2-9(6-12)3-5-11/h2-5,7H,6,8,12H2,1H3
InChIKeyAQAYSYLFEXAGBT-UHFFFAOYSA-N
XLogP0.85
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine
CID 107041583
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
3-[3-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051745
1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173
[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107041529
5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 107043162
2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107041397
1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 107041224
(1-methyltriazol-4-yl)methyl 2-(4-aminophenoxy)acetate
CID 107052085
1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine
CID 107041315

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine (CID 107040773) is [4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine is Cn1cc(COc2ccc(CN)cc2)nn1.
What is the InChIKey of [4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is AQAYSYLFEXAGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-7-10(13-14-15)8-16-11-4-2-9(6-12)3-5-11/h2-5,7H,6,8,12H2,1H3.
What are the key properties of [4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine?
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107040773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).