2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine

C20H16N4O — CID 176556151

IUPAC2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine
SMILESC(=C\c1nnc(-c2ccccn2)n1Cc1ccco1)\c1ccccc1
InChIInChI=1S/C20H16N4O/c1-2-7-16(8-3-1)11-12-19-22-23-20(18-10-4-5-13-21-18)24(19)15-17-9-6-14-25-17/h1-14H,15H2/b12-11-
InChIKeyARGXTIVVVKXDQQ-QXMHVHEDSA-N
MW328.38 g/mol
LogP4.15
Rot. Bonds5

About 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine

2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine (PubChem CID 176556151) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine
PubChem CID176556151
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine
SMILESC(=C\c1nnc(-c2ccccn2)n1Cc1ccco1)\c1ccccc1
InChIInChI=1S/C20H16N4O/c1-2-7-16(8-3-1)11-12-19-22-23-20(18-10-4-5-13-21-18)24(19)15-17-9-6-14-25-17/h1-14H,15H2/b12-11-
InChIKeyARGXTIVVVKXDQQ-QXMHVHEDSA-N
XLogP4.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine (CID 176556151) is 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine is C(=C\c1nnc(-c2ccccn2)n1Cc1ccco1)\c1ccccc1.
What is the InChIKey of 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is ARGXTIVVVKXDQQ-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-7-16(8-3-1)11-12-19-22-23-20(18-10-4-5-13-21-18)24(19)15-17-9-6-14-25-17/h1-14H,15H2/b12-11-.
What are the key properties of 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine?
2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 328.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethyl)-5-[(Z)-2-phenylethenyl]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 176556151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).