6-amino-2-phenylindazole-3-carbonitrile

C14H10N4 — CID 153390808

IUPAC6-amino-2-phenylindazole-3-carbonitrile
SMILESN#Cc1c2ccc(N)cc2nn1-c1ccccc1
InChIInChI=1S/C14H10N4/c15-9-14-12-7-6-10(16)8-13(12)17-18(14)11-4-2-1-3-5-11/h1-8H,16H2
InChIKeyHTKYBKOBXNAURU-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.48
Rot. Bonds1

About 6-amino-2-phenylindazole-3-carbonitrile

6-amino-2-phenylindazole-3-carbonitrile (PubChem CID 153390808) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-amino-2-phenylindazole-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-phenylindazole-3-carbonitrile
PubChem CID153390808
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name6-amino-2-phenylindazole-3-carbonitrile
SMILESN#Cc1c2ccc(N)cc2nn1-c1ccccc1
InChIInChI=1S/C14H10N4/c15-9-14-12-7-6-10(16)8-13(12)17-18(14)11-4-2-1-3-5-11/h1-8H,16H2
InChIKeyHTKYBKOBXNAURU-UHFFFAOYSA-N
XLogP2.48
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-phenylindazole-3-carbonitrile?
The IUPAC name of 6-amino-2-phenylindazole-3-carbonitrile (CID 153390808) is 6-amino-2-phenylindazole-3-carbonitrile.
What is the SMILES notation for 6-amino-2-phenylindazole-3-carbonitrile?
The canonical SMILES for 6-amino-2-phenylindazole-3-carbonitrile is N#Cc1c2ccc(N)cc2nn1-c1ccccc1.
What is the InChIKey of 6-amino-2-phenylindazole-3-carbonitrile?
The InChIKey is HTKYBKOBXNAURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-9-14-12-7-6-10(16)8-13(12)17-18(14)11-4-2-1-3-5-11/h1-8H,16H2.
What are the key properties of 6-amino-2-phenylindazole-3-carbonitrile?
6-amino-2-phenylindazole-3-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-phenylindazole-3-carbonitrile is sourced from PubChem (CID 153390808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).