2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine

C18H18N4 — CID 169260016

IUPAC2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine
SMILESCn1nc(/C=C/Cc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C18H18N4/c1-22-18(19-16-12-6-3-7-13-16)20-17(21-22)14-8-11-15-9-4-2-5-10-15/h2-10,12-14H,11H2,1H3,(H,19,20,21)/b14-8+
InChIKeyHVHXCXVTUDCPCP-RIYZIHGNSA-N
MW290.37 g/mol
LogP3.81
Rot. Bonds5

About 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine

2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine (PubChem CID 169260016) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine
PubChem CID169260016
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine
SMILESCn1nc(/C=C/Cc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C18H18N4/c1-22-18(19-16-12-6-3-7-13-16)20-17(21-22)14-8-11-15-9-4-2-5-10-15/h2-10,12-14H,11H2,1H3,(H,19,20,21)/b14-8+
InChIKeyHVHXCXVTUDCPCP-RIYZIHGNSA-N
XLogP3.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine (CID 169260016) is 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine is Cn1nc(/C=C/Cc2ccccc2)nc1Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine?
The InChIKey is HVHXCXVTUDCPCP-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H18N4/c1-22-18(19-16-12-6-3-7-13-16)20-17(21-22)14-8-11-15-9-4-2-5-10-15/h2-10,12-14H,11H2,1H3,(H,19,20,21)/b14-8+.
What are the key properties of 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine?
2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine has a molecular weight of 290.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-5-[(E)-3-phenylprop-1-enyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 169260016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).