5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile

C14H11N5O — CID 115743586

IUPAC5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2ccc(-n3cncn3)cc2)o1
InChIInChI=1S/C14H11N5O/c15-7-13-5-6-14(20-13)8-17-11-1-3-12(4-2-11)19-10-16-9-18-19/h1-6,9-10,17H,8H2
InChIKeyDOOOJXMWDNDMJW-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.34
Rot. Bonds4

About 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile

5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile (PubChem CID 115743586) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile
PubChem CID115743586
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2ccc(-n3cncn3)cc2)o1
InChIInChI=1S/C14H11N5O/c15-7-13-5-6-14(20-13)8-17-11-1-3-12(4-2-11)19-10-16-9-18-19/h1-6,9-10,17H,8H2
InChIKeyDOOOJXMWDNDMJW-UHFFFAOYSA-N
XLogP2.34
TPSA79.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile (CID 115743586) is 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile is N#Cc1ccc(CNc2ccc(-n3cncn3)cc2)o1.
What is the InChIKey of 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile?
The InChIKey is DOOOJXMWDNDMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-7-13-5-6-14(20-13)8-17-11-1-3-12(4-2-11)19-10-16-9-18-19/h1-6,9-10,17H,8H2.
What are the key properties of 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile?
5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115743586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).