[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine

C13H14N4O2 — CID 107040822

IUPAC[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine
SMILESCn1cc(COc2c(CN)oc3ccccc23)nn1
InChIInChI=1S/C13H14N4O2/c1-17-7-9(15-16-17)8-18-13-10-4-2-3-5-11(10)19-12(13)6-14/h2-5,7H,6,8,14H2,1H3
InChIKeyRMYKXMCNUHYLPX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.60
Rot. Bonds4

About [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine

[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine (PubChem CID 107040822) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine
PubChem CID107040822
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine
SMILESCn1cc(COc2c(CN)oc3ccccc23)nn1
InChIInChI=1S/C13H14N4O2/c1-17-7-9(15-16-17)8-18-13-10-4-2-3-5-11(10)19-12(13)6-14/h2-5,7H,6,8,14H2,1H3
InChIKeyRMYKXMCNUHYLPX-UHFFFAOYSA-N
XLogP1.60
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 107041260
1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
(3-methoxy-1-benzofuran-2-yl)methanamine
CID 75355394
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107041529
4-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-methyltriazole
CID 107044094
N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine
CID 62757748
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107713246
8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine
CID 107040861
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 116803468
3-[3-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051745

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine (CID 107040822) is [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine is Cn1cc(COc2c(CN)oc3ccccc23)nn1.
What is the InChIKey of [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine?
The InChIKey is RMYKXMCNUHYLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17-7-9(15-16-17)8-18-13-10-4-2-3-5-11(10)19-12(13)6-14/h2-5,7H,6,8,14H2,1H3.
What are the key properties of [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine?
[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine has a molecular weight of 258.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 107040822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).