potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide

C8H13KN3- — CID 155748464

IUPACpotassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide
SMILESCNc1cc([NH-])cc(N)c1.[CH3-].[K+]
InChIInChI=1S/C7H10N3.CH3.K/c1-10-7-3-5(8)2-6(9)4-7;;/h2-4,8,10H,9H2,1H3;1H3;/q2*-1;+1
InChIKeyQZENZKOBLCUPEG-UHFFFAOYSA-N
MW190.31 g/mol
LogP-0.55
Rot. Bonds1

About potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide

potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide (PubChem CID 155748464) has the molecular formula C8H13KN3- and a molecular weight of 190.31 g/mol. Its IUPAC name is potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide.

Molecular Properties

Compound Namepotassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide
PubChem CID155748464
Molecular FormulaC8H13KN3-
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Namepotassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide
SMILESCNc1cc([NH-])cc(N)c1.[CH3-].[K+]
InChIInChI=1S/C7H10N3.CH3.K/c1-10-7-3-5(8)2-6(9)4-7;;/h2-4,8,10H,9H2,1H3;1H3;/q2*-1;+1
InChIKeyQZENZKOBLCUPEG-UHFFFAOYSA-N
XLogP-0.55
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide?
The IUPAC name of potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide (CID 155748464) is potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide.
What is the SMILES notation for potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide?
The canonical SMILES for potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide is CNc1cc([NH-])cc(N)c1.[CH3-].[K+].
What is the InChIKey of potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide?
The InChIKey is QZENZKOBLCUPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N3.CH3.K/c1-10-7-3-5(8)2-6(9)4-7;;/h2-4,8,10H,9H2,1H3;1H3;/q2*-1;+1.
What are the key properties of potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide?
potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide has a molecular weight of 190.31 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[3-amino-5-(methylamino)phenyl]azanide;carbanide is sourced from PubChem (CID 155748464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).