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

C20H15ClN4O2 — CID 15991334

IUPAC(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1nc(-c2ccccc2)nc1NCc1ccco1
InChIInChI=1S/C20H15ClN4O2/c21-16-10-8-15(9-11-16)19(26)25-20(22-13-17-7-4-12-27-17)23-18(24-25)14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,24)
InChIKeyJSNPVYXRJRRRLF-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.49
Rot. Bonds5

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

(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone (PubChem CID 15991334) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone
PubChem CID15991334
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1nc(-c2ccccc2)nc1NCc1ccco1
InChIInChI=1S/C20H15ClN4O2/c21-16-10-8-15(9-11-16)19(26)25-20(22-13-17-7-4-12-27-17)23-18(24-25)14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,24)
InChIKeyJSNPVYXRJRRRLF-UHFFFAOYSA-N
XLogP4.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone (CID 15991334) is (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone is O=C(c1ccc(Cl)cc1)n1nc(-c2ccccc2)nc1NCc1ccco1.
What is the InChIKey of (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone?
The InChIKey is JSNPVYXRJRRRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-16-10-8-15(9-11-16)19(26)25-20(22-13-17-7-4-12-27-17)23-18(24-25)14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23,24).
What are the key properties of (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone?
(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone has a molecular weight of 378.82 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]methanone is sourced from PubChem (CID 15991334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).