(Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine

C8H8N4OS — CID 5404542

IUPAC(Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
SMILESCSc1nncn1/N=C\c1ccco1
InChIInChI=1S/C8H8N4OS/c1-14-8-11-9-6-12(8)10-5-7-3-2-4-13-7/h2-6H,1H3/b10-5-
InChIKeyHASKKFMJPPGUPA-YHYXMXQVSA-N
MW208.25 g/mol
LogP1.48
Rot. Bonds3

About (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 5404542) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
PubChem CID5404542
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name(Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine
SMILESCSc1nncn1/N=C\c1ccco1
InChIInChI=1S/C8H8N4OS/c1-14-8-11-9-6-12(8)10-5-7-3-2-4-13-7/h2-6H,1H3/b10-5-
InChIKeyHASKKFMJPPGUPA-YHYXMXQVSA-N
XLogP1.48
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
3-(Benzylthio)-N-(2-furylmethylene)-4H-1,2,4-triazol-4-amine
CID 5343343
((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
3-(Furan-2-yl)-N-(4H-1,2,4-triazol-4-yl)prop-2-en-1-imine
CID 9615535
(E)-N-((5-methylfuran-2-yl)methylene)-4H-1,2,4-triazol-4-amine
CID 6858623
N-(furan-2-yl-methylene)-1h-1,2,4-triazole-3-amine
CID 312001
1-(furan-2-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
CID 761214
(E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 139238846
(E)-1-(furan-2-yl)-N-[3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine
CID 24311114
N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(furan-2-yl)methanimine
CID 771863
CID 1845454
CID 1845454

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine (CID 5404542) is (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine is CSc1nncn1/N=C\c1ccco1.
What is the InChIKey of (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is HASKKFMJPPGUPA-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-14-8-11-9-6-12(8)10-5-7-3-2-4-13-7/h2-6H,1H3/b10-5-.
What are the key properties of (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 208.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5404542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).