[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine

C11H14N4O2 — CID 106596411

IUPAC[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
SMILESCOc1ccc(CN)c(Oc2ncn(C)n2)c1
InChIInChI=1S/C11H14N4O2/c1-15-7-13-11(14-15)17-10-5-9(16-2)4-3-8(10)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyNTZGDLAGPRLTPG-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.07
Rot. Bonds4

About [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine

[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine (PubChem CID 106596411) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
PubChem CID106596411
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
SMILESCOc1ccc(CN)c(Oc2ncn(C)n2)c1
InChIInChI=1S/C11H14N4O2/c1-15-7-13-11(14-15)17-10-5-9(16-2)4-3-8(10)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyNTZGDLAGPRLTPG-UHFFFAOYSA-N
XLogP1.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine
CID 106596412
[4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 81300033
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
(4-methoxy-2-pyridin-3-yloxyphenyl)methanamine
CID 81299641
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
(4-methoxy-2-quinolin-5-yloxyphenyl)methanamine
CID 103043786
[2-(5-fluoro-2-methylphenoxy)-4-methoxyphenyl]methanamine
CID 102980112
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
CID 107663612

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine?
The IUPAC name of [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine (CID 106596411) is [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine?
The canonical SMILES for [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine is COc1ccc(CN)c(Oc2ncn(C)n2)c1.
What is the InChIKey of [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine?
The InChIKey is NTZGDLAGPRLTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-15-7-13-11(14-15)17-10-5-9(16-2)4-3-8(10)6-12/h3-5,7H,6,12H2,1-2H3.
What are the key properties of [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine?
[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine has a molecular weight of 234.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 106596411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).