CID 173301783

CH10ClKN6O10 — CID 173301783

IUPAC—
SMILESN.O=[N+]([O-])O.O=[N+]([O-])[O-].[H]N=C(N)N.[K+].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/CH5N3.ClHO4.K.HNO3.NO3.H3N/c2-1(3)4;2-1(3,4)5;;2*2-1(3)4;/h(H5,2,3,4);(H,2,3,4,5);;(H,2,3,4);;1H3/q;;+1;;-1;
InChIKeyPKUZSGQWBFOPQE-UHFFFAOYSA-N
MW340.67 g/mol
LogP-8.71
Rot. Bonds

About CID 173301783

CID 173301783 (PubChem CID 173301783) has the molecular formula CH10ClKN6O10 and a molecular weight of 340.67 g/mol.

Molecular Properties

Compound NameCID 173301783
PubChem CID173301783
Molecular FormulaCH10ClKN6O10
Molecular Weight340.67 g/mol
Exact Mass339.98
IUPAC Name—
SMILESN.O=[N+]([O-])O.O=[N+]([O-])[O-].[H]N=C(N)N.[K+].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/CH5N3.ClHO4.K.HNO3.NO3.H3N/c2-1(3)4;2-1(3,4)5;;2*2-1(3)4;/h(H5,2,3,4);(H,2,3,4,5);;(H,2,3,4);;1H3/q;;+1;;-1;
InChIKeyPKUZSGQWBFOPQE-UHFFFAOYSA-N
XLogP-8.71
TPSA329.87 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500340.67
LogP ≤ 5-8.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;guanidine;bis(nitric acid)
CID 174540476
CID 173301434
CID 173301434
acetamide;guanidine;nitric acid
CID 173438373
potassium;bis(nitric acid);sulfane;nitrate
CID 174249776
calcium;azane;bis(nitric acid);dinitrate
CID 173116154
azane;tetrakis(nitric acid)
CID 173388272
tripentacontapotassium;pentakis(nitric acid)
CID 173441316
azane;decakis(nitric acid)
CID 173055393
azane;(nitric acid)
CID 173431766
bis(nitric acid);urea
CID 163580845
dipotassium;hydride;nitric acid
CID 173026465
pentapotassium;hydride;pentadecakis(nitric acid)
CID 173454333

Frequently Asked Questions

What is the IUPAC name of CID 173301783?
The IUPAC name of CID 173301783 (CID 173301783) is not available.
What is the SMILES notation for CID 173301783?
The canonical SMILES for CID 173301783 is N.O=[N+]([O-])O.O=[N+]([O-])[O-].[H]N=C(N)N.[K+].[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of CID 173301783?
The InChIKey is PKUZSGQWBFOPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.ClHO4.K.HNO3.NO3.H3N/c2-1(3)4;2-1(3,4)5;;2*2-1(3)4;/h(H5,2,3,4);(H,2,3,4,5);;(H,2,3,4);;1H3/q;;+1;;-1;.
What are the key properties of CID 173301783?
CID 173301783 has a molecular weight of 340.67 g/mol, XLogP of -8.71, 0 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173301783 is sourced from PubChem (CID 173301783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).