5-amino-2-indazol-1-ylbenzonitrile

C14H10N4 — CID 55040979

IUPAC5-amino-2-indazol-1-ylbenzonitrile
SMILESN#Cc1cc(N)ccc1-n1ncc2ccccc21
InChIInChI=1S/C14H10N4/c15-8-11-7-12(16)5-6-14(11)18-13-4-2-1-3-10(13)9-17-18/h1-7,9H,16H2
InChIKeyGTHOFHZQXICUIA-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.48
Rot. Bonds1

About 5-amino-2-indazol-1-ylbenzonitrile

5-amino-2-indazol-1-ylbenzonitrile (PubChem CID 55040979) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-amino-2-indazol-1-ylbenzonitrile.

Molecular Properties

Compound Name5-amino-2-indazol-1-ylbenzonitrile
PubChem CID55040979
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name5-amino-2-indazol-1-ylbenzonitrile
SMILESN#Cc1cc(N)ccc1-n1ncc2ccccc21
InChIInChI=1S/C14H10N4/c15-8-11-7-12(16)5-6-14(11)18-13-4-2-1-3-10(13)9-17-18/h1-7,9H,16H2
InChIKeyGTHOFHZQXICUIA-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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Related Compounds

2-indazol-1-yl-5-(trifluoromethyl)benzonitrile
CID 62140935
2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile
CID 62494224
3-bromo-4-indazol-1-ylaniline
CID 62140535
4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
CID 81060210
4-amino-2-indazol-1-ylthieno[3,2-c]pyridine-7-carbonitrile
CID 141157007
3-indazol-1-ylpyridazine-4-carbonitrile
CID 80509904
2,4-difluoro-6-indazol-1-ylaniline
CID 115507215
2-indazol-1-ylpyrimidine-4,6-diamine
CID 90303723
1-phenylindazol-5-amine
CID 83414114
1-pyridin-2-ylindazol-6-amine
CID 61176394
4-indazol-1-yl-3-methylbenzoic acid
CID 62120447
2-indazol-1-yl-5-methylpyridin-4-amine
CID 83265472

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-indazol-1-ylbenzonitrile?
The IUPAC name of 5-amino-2-indazol-1-ylbenzonitrile (CID 55040979) is 5-amino-2-indazol-1-ylbenzonitrile.
What is the SMILES notation for 5-amino-2-indazol-1-ylbenzonitrile?
The canonical SMILES for 5-amino-2-indazol-1-ylbenzonitrile is N#Cc1cc(N)ccc1-n1ncc2ccccc21.
What is the InChIKey of 5-amino-2-indazol-1-ylbenzonitrile?
The InChIKey is GTHOFHZQXICUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-8-11-7-12(16)5-6-14(11)18-13-4-2-1-3-10(13)9-17-18/h1-7,9H,16H2.
What are the key properties of 5-amino-2-indazol-1-ylbenzonitrile?
5-amino-2-indazol-1-ylbenzonitrile 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 5-amino-2-indazol-1-ylbenzonitrile is sourced from PubChem (CID 55040979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).