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

C19H14ClN5O2 — CID 3920828

IUPAC(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccco1
InChIInChI=1S/C19H14ClN5O2/c20-15-7-5-13(6-8-15)18(26)25-19(22-12-16-4-2-10-27-16)23-17(24-25)14-3-1-9-21-11-14/h1-11H,12H2,(H,22,23,24)
InChIKeyWEVGMCMRBLIWAP-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.89
Rot. Bonds5

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

(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone (PubChem CID 3920828) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
PubChem CID3920828
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccco1
InChIInChI=1S/C19H14ClN5O2/c20-15-7-5-13(6-8-15)18(26)25-19(22-12-16-4-2-10-27-16)23-17(24-25)14-3-1-9-21-11-14/h1-11H,12H2,(H,22,23,24)
InChIKeyWEVGMCMRBLIWAP-UHFFFAOYSA-N
XLogP3.89
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone (CID 3920828) is (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is O=C(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccco1.
What is the InChIKey of (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The InChIKey is WEVGMCMRBLIWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-15-7-5-13(6-8-15)18(26)25-19(22-12-16-4-2-10-27-16)23-17(24-25)14-3-1-9-21-11-14/h1-11H,12H2,(H,22,23,24).
What are the key properties of (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
(4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone has a molecular weight of 379.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is sourced from PubChem (CID 3920828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).