4-[5-(furan-2-yl)triazol-1-yl]aniline

C12H10N4O — CID 3242963

IUPAC4-[5-(furan-2-yl)triazol-1-yl]aniline
SMILESNc1ccc(-n2nncc2-c2ccco2)cc1
InChIInChI=1S/C12H10N4O/c13-9-3-5-10(6-4-9)16-11(8-14-15-16)12-2-1-7-17-12/h1-8H,13H2
InChIKeyYEZVPFIMIOWAJG-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.11
Rot. Bonds2

About 4-[5-(furan-2-yl)triazol-1-yl]aniline

4-[5-(furan-2-yl)triazol-1-yl]aniline (PubChem CID 3242963) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)triazol-1-yl]aniline.

Molecular Properties

Compound Name4-[5-(furan-2-yl)triazol-1-yl]aniline
PubChem CID3242963
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name4-[5-(furan-2-yl)triazol-1-yl]aniline
SMILESNc1ccc(-n2nncc2-c2ccco2)cc1
InChIInChI=1S/C12H10N4O/c13-9-3-5-10(6-4-9)16-11(8-14-15-16)12-2-1-7-17-12/h1-8H,13H2
InChIKeyYEZVPFIMIOWAJG-UHFFFAOYSA-N
XLogP2.11
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)triazol-1-yl]aniline?
The IUPAC name of 4-[5-(furan-2-yl)triazol-1-yl]aniline (CID 3242963) is 4-[5-(furan-2-yl)triazol-1-yl]aniline.
What is the SMILES notation for 4-[5-(furan-2-yl)triazol-1-yl]aniline?
The canonical SMILES for 4-[5-(furan-2-yl)triazol-1-yl]aniline is Nc1ccc(-n2nncc2-c2ccco2)cc1.
What is the InChIKey of 4-[5-(furan-2-yl)triazol-1-yl]aniline?
The InChIKey is YEZVPFIMIOWAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-9-3-5-10(6-4-9)16-11(8-14-15-16)12-2-1-7-17-12/h1-8H,13H2.
What are the key properties of 4-[5-(furan-2-yl)triazol-1-yl]aniline?
4-[5-(furan-2-yl)triazol-1-yl]aniline has a molecular weight of 226.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)triazol-1-yl]aniline is sourced from PubChem (CID 3242963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).