(E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine

C9H8N4O — CID 5389320

IUPAC(E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
SMILESC(/C=C/c1ccco1)=Nn1cnnc1
InChIInChI=1S/C9H8N4O/c1(3-9-4-2-6-14-9)5-12-13-7-10-11-8-13/h1-8H/b3-1+,12-5?
InChIKeyKXTUPSKHVKCXSB-UPJGTIJNSA-N
MW188.19 g/mol
LogP1.42
Rot. Bonds3

About (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine

(E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine (PubChem CID 5389320) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
PubChem CID5389320
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name(E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
SMILESC(/C=C/c1ccco1)=Nn1cnnc1
InChIInChI=1S/C9H8N4O/c1(3-9-4-2-6-14-9)5-12-13-7-10-11-8-13/h1-8H/b3-1+,12-5?
InChIKeyKXTUPSKHVKCXSB-UPJGTIJNSA-N
XLogP1.42
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Furfurylideneamino-4H-1,2,4-triazole
CID 6868790
((1E)-2-(2-furyl)-1-azavinyl)[4-((1E)-2-(2-furyl)-1-azavinyl)(1,2,4-triazol-3-yl)]amine
CID 9592275
(E)-3-(furan-2-yl)-2-methyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
CID 6878580
N-[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-4H-1,2,4-triazol-4-amine
CID 9615535
(E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine
CID 6858623
N-[(E)-(4,5-dibromofuran-2-yl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6900725
N-(furan-2-yl-methylene)-1h-1,2,4-triazole-3-amine
CID 312001
2-[(1Z,3E)-4-(3,5-dimethyl(1,2,4-triazol-4-yl))-4-azabuta-1,3-dienyl]furan
CID 1584422
N-[(2-furanyl)methylene]-4h-1,2,4-triazole-4-amine
CID 761214
N-(2-furylmethylene)-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amine
CID 5404542
(E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 139238846
1-(furan-2-yl)-N-[3-(furan-2-ylmethylideneamino)-1H-1,2,4-triazol-5-yl]methanimine
CID 77993647

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine?
The IUPAC name of (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine (CID 5389320) is (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine is C(/C=C/c1ccco1)=Nn1cnnc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine?
The InChIKey is KXTUPSKHVKCXSB-UPJGTIJNSA-N. The full InChI is InChI=1S/C9H8N4O/c1(3-9-4-2-6-14-9)5-12-13-7-10-11-8-13/h1-8H/b3-1+,12-5?.
What are the key properties of (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine?
(E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine has a molecular weight of 188.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 5389320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).