[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone

C20H16N4O2 — CID 2981057

IUPAC[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(-c2ccco2)nc1NCc1ccccc1
InChIInChI=1S/C20H16N4O2/c25-19(16-10-5-2-6-11-16)24-20(21-14-15-8-3-1-4-9-15)22-18(23-24)17-12-7-13-26-17/h1-13H,14H2,(H,21,22,23)
InChIKeyXDEIYFXSGYNEAV-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.84
Rot. Bonds5

About [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone

[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone (PubChem CID 2981057) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone
PubChem CID2981057
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(-c2ccco2)nc1NCc1ccccc1
InChIInChI=1S/C20H16N4O2/c25-19(16-10-5-2-6-11-16)24-20(21-14-15-8-3-1-4-9-15)22-18(23-24)17-12-7-13-26-17/h1-13H,14H2,(H,21,22,23)
InChIKeyXDEIYFXSGYNEAV-UHFFFAOYSA-N
XLogP3.84
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone?
The IUPAC name of [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone (CID 2981057) is [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1nc(-c2ccco2)nc1NCc1ccccc1.
What is the InChIKey of [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone?
The InChIKey is XDEIYFXSGYNEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-19(16-10-5-2-6-11-16)24-20(21-14-15-8-3-1-4-9-15)22-18(23-24)17-12-7-13-26-17/h1-13H,14H2,(H,21,22,23).
What are the key properties of [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone?
[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone has a molecular weight of 344.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-phenylmethanone is sourced from PubChem (CID 2981057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).