1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile

C10H5N5 — CID 102817654

IUPAC1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1cccc(-n2cnc(C#N)n2)c1
InChIInChI=1S/C10H5N5/c11-5-8-2-1-3-9(4-8)15-7-13-10(6-12)14-15/h1-4,7H
InChIKeySUQXFSLEIWZBMN-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.01
Rot. Bonds1

About 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile

1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile (PubChem CID 102817654) has the molecular formula C10H5N5 and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile
PubChem CID102817654
Molecular FormulaC10H5N5
Molecular Weight195.18 g/mol
Exact Mass195.05
IUPAC Name1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1cccc(-n2cnc(C#N)n2)c1
InChIInChI=1S/C10H5N5/c11-5-8-2-1-3-9(4-8)15-7-13-10(6-12)14-15/h1-4,7H
InChIKeySUQXFSLEIWZBMN-UHFFFAOYSA-N
XLogP1.01
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-pyridin-3-yl-1,2,4-triazol-1-yl)benzonitrile
CID 73212875
1-(2-amino-5-cyanophenyl)-1,2,4-triazole-3-carbonitrile
CID 104712353
1-(4-amino-3-cyanophenyl)-1,2,4-triazole-3-carbonitrile
CID 115499708
1-[3-[1-(propylamino)ethyl]phenyl]-1,2,4-triazole-3-carbonitrile
CID 79170220
1-[4-cyano-3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carbonitrile
CID 62949944
3-(4-propan-2-ylimidazol-1-yl)benzonitrile
CID 159805460
3-[1-(3-cyanophenyl)triazol-4-yl]benzonitrile
CID 44626496
1-(3-acetyl-4-aminophenyl)-1,2,4-triazole-3-carbonitrile
CID 104613158
1-(4-amino-3-ethoxyphenyl)-1,2,4-triazole-3-carbonitrile
CID 63677142
1-(1-phenyltetrazol-5-yl)-1,2,4-triazole-3-carbonitrile
CID 55152781
1-(3-cyanophenyl)imidazole-4-carboxylic acid
CID 69379074
1-(3-cyanophenyl)pyrazole-4-carboxylic acid
CID 43542927

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile (CID 102817654) is 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile is N#Cc1cccc(-n2cnc(C#N)n2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile?
The InChIKey is SUQXFSLEIWZBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N5/c11-5-8-2-1-3-9(4-8)15-7-13-10(6-12)14-15/h1-4,7H.
What are the key properties of 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile?
1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile has a molecular weight of 195.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 102817654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).