5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile

C14H10N4O — CID 82197960

IUPAC5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile
SMILESCc1cccc(-n2nnc(C#N)c2-c2ccco2)c1
InChIInChI=1S/C14H10N4O/c1-10-4-2-5-11(8-10)18-14(12(9-15)16-17-18)13-6-3-7-19-13/h2-8H,1H3
InChIKeyHNVHGEFESYASSW-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.71
Rot. Bonds2

About 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile

5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile (PubChem CID 82197960) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile
PubChem CID82197960
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile
SMILESCc1cccc(-n2nnc(C#N)c2-c2ccco2)c1
InChIInChI=1S/C14H10N4O/c1-10-4-2-5-11(8-10)18-14(12(9-15)16-17-18)13-6-3-7-19-13/h2-8H,1H3
InChIKeyHNVHGEFESYASSW-UHFFFAOYSA-N
XLogP2.71
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-cyano-5-(furan-2-yl)triazol-1-yl]phenyl]acetamide
CID 82199343
1-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)triazole-4-carbonitrile
CID 82195388
5-(2-chlorophenyl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 82198010
1-(4-chloro-3-nitrophenyl)-5-(furan-2-yl)triazole-4-carbonitrile
CID 94938070
5-(furan-2-yl)-1-(2-methoxyphenyl)triazole-4-carbonitrile
CID 82199008
1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
CID 82198035
1-(4-methoxyphenyl)-5-(3-methylphenyl)triazole-4-carbonitrile
CID 82196218
1-(3,5-dimethylphenyl)-5-phenyltriazole-4-carbonitrile
CID 82198728
1-(3-nitrophenyl)-5-pyridin-4-yltriazole-4-carbonitrile
CID 82200081
5-(1H-indol-3-ylmethyl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 94938256
5-(furan-2-yl)-1-(3-nitrophenyl)triazole-4-carbaldehyde
CID 82200066
1-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)triazole-4-carbonitrile
CID 82196931

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile (CID 82197960) is 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile is Cc1cccc(-n2nnc(C#N)c2-c2ccco2)c1.
What is the InChIKey of 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile?
The InChIKey is HNVHGEFESYASSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-10-4-2-5-11(8-10)18-14(12(9-15)16-17-18)13-6-3-7-19-13/h2-8H,1H3.
What are the key properties of 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile?
5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile is sourced from PubChem (CID 82197960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).