(E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine

C8H8N4O — CID 139238846

IUPAC(E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESCc1ccoc1/C=N/c1ncn[nH]1
InChIInChI=1S/C8H8N4O/c1-6-2-3-13-7(6)4-9-8-10-5-11-12-8/h2-5H,1H3,(H,10,11,12)/b9-4+
InChIKeyVDVYYTFJEIUSME-RUDMXATFSA-N
MW176.18 g/mol
LogP1.46
Rot. Bonds2

About (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine

(E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine (PubChem CID 139238846) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
PubChem CID139238846
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name(E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESCc1ccoc1/C=N/c1ncn[nH]1
InChIInChI=1S/C8H8N4O/c1-6-2-3-13-7(6)4-9-8-10-5-11-12-8/h2-5H,1H3,(H,10,11,12)/b9-4+
InChIKeyVDVYYTFJEIUSME-RUDMXATFSA-N
XLogP1.46
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
(2E)-2-cyano-3-(furan-2-yl)-N-(4H-1,2,4-triazol-4-yl)prop-2-enamide
CID 766172
((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
N-[(E)-furan-2-ylmethylidene]-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-amine
CID 9599672
1-(furan-2-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
CID 761214
N-(2-furylmethylene)-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amine
CID 5404542
dichlorocobalt;bis((E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine)
CID 139238849
dichloronickel;bis((E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine)
CID 139238850

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The IUPAC name of (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine (CID 139238846) is (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
What is the SMILES notation for (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The canonical SMILES for (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine is Cc1ccoc1/C=N/c1ncn[nH]1.
What is the InChIKey of (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The InChIKey is VDVYYTFJEIUSME-RUDMXATFSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6-2-3-13-7(6)4-9-8-10-5-11-12-8/h2-5H,1H3,(H,10,11,12)/b9-4+.
What are the key properties of (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
(E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine has a molecular weight of 176.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylfuran-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine is sourced from PubChem (CID 139238846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).