1H-indazol-5-yl(methanidyl)azanium

C8H9N3 — CID 23545601

IUPAC1H-indazol-5-yl(methanidyl)azanium
SMILES[CH2-][NH2+]c1ccc2[nH]ncc2c1
InChIInChI=1S/C8H9N3/c1-9-7-2-3-8-6(4-7)5-10-11-8/h2-5H,1,9H2,(H,10,11)
InChIKeyUIUVFKDYSJFDJH-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.55
Rot. Bonds1

About 1H-indazol-5-yl(methanidyl)azanium

1H-indazol-5-yl(methanidyl)azanium (PubChem CID 23545601) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1H-indazol-5-yl(methanidyl)azanium.

Molecular Properties

Compound Name1H-indazol-5-yl(methanidyl)azanium
PubChem CID23545601
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1H-indazol-5-yl(methanidyl)azanium
SMILES[CH2-][NH2+]c1ccc2[nH]ncc2c1
InChIInChI=1S/C8H9N3/c1-9-7-2-3-8-6(4-7)5-10-11-8/h2-5H,1,9H2,(H,10,11)
InChIKeyUIUVFKDYSJFDJH-UHFFFAOYSA-N
XLogP0.55
TPSA45.29 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-indazole-5-thiolate
CID 51922109
ethane;5-methyl-1H-indazole
CID 178026047
5-(chloromethyl)-1H-indazole;hydrochloride
CID 72710304
5-(bromomethyl)-1H-indazole;hydron
CID 70114512
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
CID 138396393
3-(1H-indazol-5-yl)-1,2,5-oxadiazole
CID 67417343
1H-indazole-5-sulfonamide
CID 22567171
5-(methoxymethyl)-1H-indazole
CID 123206066
1-(1H-indazol-5-yl)cyclopropan-1-ol
CID 117277102
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
1H-indazol-5-amine;5-methyl-1H-indazole
CID 159974362
5-(4-methoxyphenoxy)-1H-indazole
CID 22349444

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-5-yl(methanidyl)azanium?
The IUPAC name of 1H-indazol-5-yl(methanidyl)azanium (CID 23545601) is 1H-indazol-5-yl(methanidyl)azanium.
What is the SMILES notation for 1H-indazol-5-yl(methanidyl)azanium?
The canonical SMILES for 1H-indazol-5-yl(methanidyl)azanium is [CH2-][NH2+]c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazol-5-yl(methanidyl)azanium?
The InChIKey is UIUVFKDYSJFDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-9-7-2-3-8-6(4-7)5-10-11-8/h2-5H,1,9H2,(H,10,11).
What are the key properties of 1H-indazol-5-yl(methanidyl)azanium?
1H-indazol-5-yl(methanidyl)azanium has a molecular weight of 147.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-5-yl(methanidyl)azanium is sourced from PubChem (CID 23545601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).