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

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 62345471
5-[(4-bromoanilino)methyl]furan-2-carbonitrile
CID 115909240
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
CID 115692616
N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
CID 62762707
N-[(3,4-dichlorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60928159
N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 167965681
N-(3-methylbutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862631
5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile
CID 115697836
5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743993
5-[(3-chloro-4-hydroxyanilino)methyl]furan-2-carbonitrile
CID 107678453
N-(3-phenylpropyl)-4-(1,2,4-triazol-1-yl)aniline
CID 60945273
5-[(4-chloro-3-fluoroanilino)methyl]furan-2-carbonitrile
CID 113481534

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).