3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile

C14H11N5 — CID 46882056

IUPAC3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile
SMILESN#Cc1c(N)cc2[nH]nc(N)c2c1-c1ccccc1
InChIInChI=1S/C14H11N5/c15-7-9-10(16)6-11-13(14(17)19-18-11)12(9)8-4-2-1-3-5-8/h1-6H,16H2,(H3,17,18,19)
InChIKeyLMFRJXHSGGPLGI-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.27
Rot. Bonds1

About 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile

3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile (PubChem CID 46882056) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile
PubChem CID46882056
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile
SMILESN#Cc1c(N)cc2[nH]nc(N)c2c1-c1ccccc1
InChIInChI=1S/C14H11N5/c15-7-9-10(16)6-11-13(14(17)19-18-11)12(9)8-4-2-1-3-5-8/h1-6H,16H2,(H3,17,18,19)
InChIKeyLMFRJXHSGGPLGI-UHFFFAOYSA-N
XLogP2.27
TPSA104.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)-1H-indazol-3-amine
CID 16125106
5-phenyl-1H-indazol-3-amine
CID 11492186
3-Amino-1H-indazole-4-carbonitrile
CID 54016394
5(2-Cyanophenyl)indazole
CID 21468844
7-phenyl-1H-indazol-3-amine
CID 49830784
5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine
CID 44134265
N-[4-(3-amino-1H-indazol-5-yl)phenyl]methanesulfonamide
CID 49830444
4-(4-fluorophenyl)-1H-indazol-3-amine
CID 49830782
3,4,6-triphenyl-1H-indazole-5-carbonitrile
CID 134132348
6-(3-aminophenyl)-1H-indazol-3-amine
CID 11514099
6-phenyl-1H-indazol-3-amine
CID 11658542
3-(1H-indazol-3-yl)benzonitrile
CID 83446531

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile?
The IUPAC name of 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile (CID 46882056) is 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile.
What is the SMILES notation for 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile?
The canonical SMILES for 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile is N#Cc1c(N)cc2[nH]nc(N)c2c1-c1ccccc1.
What is the InChIKey of 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile?
The InChIKey is LMFRJXHSGGPLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c15-7-9-10(16)6-11-13(14(17)19-18-11)12(9)8-4-2-1-3-5-8/h1-6H,16H2,(H3,17,18,19).
What are the key properties of 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile?
3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-4-phenyl-1H-indazole-5-carbonitrile is sourced from PubChem (CID 46882056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).