N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine

C12H10N6O2 — CID 3106924

IUPACN,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine
SMILESC(=NNc1nncn1N=Cc1ccco1)c1ccco1
InChIInChI=1S/C12H10N6O2/c1-3-10(19-5-1)7-13-16-12-17-14-9-18(12)15-8-11-4-2-6-20-11/h1-9H,(H,16,17)
InChIKeyIFBKXPRBTVLHIR-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.79
Rot. Bonds5

About N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine

N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine (PubChem CID 3106924) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine
PubChem CID3106924
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC NameN,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine
SMILESC(=NNc1nncn1N=Cc1ccco1)c1ccco1
InChIInChI=1S/C12H10N6O2/c1-3-10(19-5-1)7-13-16-12-17-14-9-18(12)15-8-11-4-2-6-20-11/h1-9H,(H,16,17)
InChIKeyIFBKXPRBTVLHIR-UHFFFAOYSA-N
XLogP1.79
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine (CID 3106924) is N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine is C(=NNc1nncn1N=Cc1ccco1)c1ccco1.
What is the InChIKey of N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine?
The InChIKey is IFBKXPRBTVLHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c1-3-10(19-5-1)7-13-16-12-17-14-9-18(12)15-8-11-4-2-6-20-11/h1-9H,(H,16,17).
What are the key properties of N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine?
N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine has a molecular weight of 270.25 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(furan-2-ylmethylideneamino)-1,2,4-triazol-3-amine is sourced from PubChem (CID 3106924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).