3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine

C15H14N4OS — CID 2043591

IUPAC3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(SC/C=C/c2ccccc2)nnc1-c1ccco1
InChIInChI=1S/C15H14N4OS/c16-19-14(13-9-4-10-20-13)17-18-15(19)21-11-5-8-12-6-2-1-3-7-12/h1-10H,11,16H2/b8-5+
InChIKeyMGMVQFSRQAZZRF-VMPITWQZSA-N
MW298.37 g/mol
LogP3.06
Rot. Bonds5

About 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine

3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine (PubChem CID 2043591) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
PubChem CID2043591
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(SC/C=C/c2ccccc2)nnc1-c1ccco1
InChIInChI=1S/C15H14N4OS/c16-19-14(13-9-4-10-20-13)17-18-15(19)21-11-5-8-12-6-2-1-3-7-12/h1-10H,11,16H2/b8-5+
InChIKeyMGMVQFSRQAZZRF-VMPITWQZSA-N
XLogP3.06
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine (CID 2043591) is 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine is Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine?
The InChIKey is MGMVQFSRQAZZRF-VMPITWQZSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-19-14(13-9-4-10-20-13)17-18-15(19)21-11-5-8-12-6-2-1-3-7-12/h1-10H,11,16H2/b8-5+.
What are the key properties of 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine?
3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine has a molecular weight of 298.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 2043591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).