1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

C14H16N4O2 — CID 60979032

IUPAC1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCOc1cccc2cc(C(C)NCc3ncn[nH]3)oc12
InChIInChI=1S/C14H16N4O2/c1-9(15-7-13-16-8-17-18-13)12-6-10-4-3-5-11(19-2)14(10)20-12/h3-6,8-9,15H,7H2,1-2H3,(H,16,17,18)
InChIKeyCLDBIMNMXMYHJN-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.41
Rot. Bonds5

About 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (PubChem CID 60979032) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
PubChem CID60979032
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCOc1cccc2cc(C(C)NCc3ncn[nH]3)oc12
InChIInChI=1S/C14H16N4O2/c1-9(15-7-13-16-8-17-18-13)12-6-10-4-3-5-11(19-2)14(10)20-12/h3-6,8-9,15H,7H2,1-2H3,(H,16,17,18)
InChIKeyCLDBIMNMXMYHJN-UHFFFAOYSA-N
XLogP2.41
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (CID 60979032) is 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is COc1cccc2cc(C(C)NCc3ncn[nH]3)oc12.
What is the InChIKey of 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The InChIKey is CLDBIMNMXMYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(15-7-13-16-8-17-18-13)12-6-10-4-3-5-11(19-2)14(10)20-12/h3-6,8-9,15H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine has a molecular weight of 272.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 60979032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).