5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile

C16H10N4 — CID 122479197

IUPAC5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H10N4/c17-9-15-16(19-20-18-15)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8H,7H2,(H,18,19,20)
InChIKeyGZFRXXGQTUPHEY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.91
Rot. Bonds1

About 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile

5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile (PubChem CID 122479197) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile
PubChem CID122479197
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H10N4/c17-9-15-16(19-20-18-15)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8H,7H2,(H,18,19,20)
InChIKeyGZFRXXGQTUPHEY-UHFFFAOYSA-N
XLogP2.91
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile?
The IUPAC name of 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile (CID 122479197) is 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile?
The InChIKey is GZFRXXGQTUPHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c17-9-15-16(19-20-18-15)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8H,7H2,(H,18,19,20).
What are the key properties of 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile?
5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122479197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).