(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol

C16H14N4O2 — CID 135511136

IUPAC(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol
SMILESO/C(=C\c1ccc(OCc2ccccc2)cn1)c1ncn[nH]1
InChIInChI=1S/C16H14N4O2/c21-15(16-18-11-19-20-16)8-13-6-7-14(9-17-13)22-10-12-4-2-1-3-5-12/h1-9,11,21H,10H2,(H,18,19,20)/b15-8-
InChIKeyDNNPPBXFXNOJIM-NVNXTCNLSA-N
MW294.31 g/mol
LogP2.83
Rot. Bonds5

About (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol

(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol (PubChem CID 135511136) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol.

Molecular Properties

Compound Name(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol
PubChem CID135511136
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol
SMILESO/C(=C\c1ccc(OCc2ccccc2)cn1)c1ncn[nH]1
InChIInChI=1S/C16H14N4O2/c21-15(16-18-11-19-20-16)8-13-6-7-14(9-17-13)22-10-12-4-2-1-3-5-12/h1-9,11,21H,10H2,(H,18,19,20)/b15-8-
InChIKeyDNNPPBXFXNOJIM-NVNXTCNLSA-N
XLogP2.83
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol?
The IUPAC name of (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol (CID 135511136) is (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol.
What is the SMILES notation for (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol?
The canonical SMILES for (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol is O/C(=C\c1ccc(OCc2ccccc2)cn1)c1ncn[nH]1.
What is the InChIKey of (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol?
The InChIKey is DNNPPBXFXNOJIM-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15(16-18-11-19-20-16)8-13-6-7-14(9-17-13)22-10-12-4-2-1-3-5-12/h1-9,11,21H,10H2,(H,18,19,20)/b15-8-.
What are the key properties of (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol?
(Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol has a molecular weight of 294.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-phenylmethoxy-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethenol is sourced from PubChem (CID 135511136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).