(E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine

C12H9N5O2 — CID 71495265

IUPAC(E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine
SMILESC(=N/c1n[nH]c(/N=C/c2ccco2)n1)\c1ccco1
InChIInChI=1S/C12H9N5O2/c1-3-9(18-5-1)7-13-11-15-12(17-16-11)14-8-10-4-2-6-19-10/h1-8H,(H,15,16,17)/b13-7+,14-8+
InChIKeyFDNAZPUBXIIUHY-FNCQTZNRSA-N
MW255.24 g/mol
LogP2.49
Rot. Bonds4

About (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine

(E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine (PubChem CID 71495265) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine
PubChem CID71495265
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name(E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine
SMILESC(=N/c1n[nH]c(/N=C/c2ccco2)n1)\c1ccco1
InChIInChI=1S/C12H9N5O2/c1-3-9(18-5-1)7-13-11-15-12(17-16-11)14-8-10-4-2-6-19-10/h1-8H,(H,15,16,17)/b13-7+,14-8+
InChIKeyFDNAZPUBXIIUHY-FNCQTZNRSA-N
XLogP2.49
TPSA92.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(1H-pyrrol-2-yl)-N-[3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine
CID 135858123
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
(E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine
CID 13285530
(E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine
CID 14963060
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
ethane;1-(furan-2-yl)-N-phenylmethanimine
CID 160534475
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine
CID 71835016
4-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 6862908
3-N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1H-1,2,4-triazol-4-ium-3,4-diamine
CID 135699173
1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine
CID 11206226
4-(furan-2-ylmethylideneamino)-3-methyl-1H-1,2,4-triazole-5-thione
CID 2728541

Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine (CID 71495265) is (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine is C(=N/c1n[nH]c(/N=C/c2ccco2)n1)\c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine?
The InChIKey is FDNAZPUBXIIUHY-FNCQTZNRSA-N. The full InChI is InChI=1S/C12H9N5O2/c1-3-9(18-5-1)7-13-11-15-12(17-16-11)14-8-10-4-2-6-19-10/h1-8H,(H,15,16,17)/b13-7+,14-8+.
What are the key properties of (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine?
(E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine has a molecular weight of 255.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine is sourced from PubChem (CID 71495265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).