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

C20H16N4O2 — CID 3974873

IUPAC[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1
InChIInChI=1S/C20H16N4O2/c25-19(16-10-5-2-6-11-16)24-20(21-14-17-12-7-13-26-17)22-18(23-24)15-8-3-1-4-9-15/h1-13H,14H2,(H,21,22,23)
InChIKeyQAKZCVAYLPANQK-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.84
Rot. Bonds5

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

[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone (PubChem CID 3974873) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone
PubChem CID3974873
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1
InChIInChI=1S/C20H16N4O2/c25-19(16-10-5-2-6-11-16)24-20(21-14-17-12-7-13-26-17)22-18(23-24)15-8-3-1-4-9-15/h1-13H,14H2,(H,21,22,23)
InChIKeyQAKZCVAYLPANQK-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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Related Compounds

[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-phenylmethanone
CID 2972077
(4-fluorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
CID 4617702
phenyl-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 2973632
1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-phenylprop-2-en-1-one
CID 3419719
[3-(4-chlorophenyl)-5-(furan-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 1296965
1-[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-methylbutan-1-one
CID 3916637
[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-phenylmethanone
CID 3570564
[3-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,2,4-triazol-1-yl]-phenylmethanone
CID 53491871
(4-chloro-3-nitrophenyl)-[5-(furan-2-ylmethylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone
CID 5115113
[3-(furan-2-yl)-5-[(5-methylfuran-2-yl)methylamino]-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone
CID 46263811
[5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-phenylmethanone
CID 5227786
N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16584672

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone?
The IUPAC name of [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone (CID 3974873) is [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1.
What is the InChIKey of [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone?
The InChIKey is QAKZCVAYLPANQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-19(16-10-5-2-6-11-16)24-20(21-14-17-12-7-13-26-17)22-18(23-24)15-8-3-1-4-9-15/h1-13H,14H2,(H,21,22,23).
What are the key properties of [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone?
[5-(furan-2-ylmethylamino)-3-phenyl-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-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone is sourced from PubChem (CID 3974873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).