CID 173309959

CH4AsN6O2 — CID 173309959

IUPAC—
SMILESN.O=[N+]([O-])[As]c1nn[nH]n1
InChIInChI=1S/CHAsN5O2.H3N/c8-7(9)2-1-3-5-6-4-1;/h(H,3,4,5,6);1H3
InChIKeyIDIZDNGGYFWFJD-UHFFFAOYSA-N
MW207.00 g/mol
LogP-2.12
Rot. Bonds2

About CID 173309959

CID 173309959 (PubChem CID 173309959) has the molecular formula CH4AsN6O2 and a molecular weight of 207.00 g/mol.

Molecular Properties

Compound NameCID 173309959
PubChem CID173309959
Molecular FormulaCH4AsN6O2
Molecular Weight207.00 g/mol
Exact Mass206.96
IUPAC Name—
SMILESN.O=[N+]([O-])[As]c1nn[nH]n1
InChIInChI=1S/CHAsN5O2.H3N/c8-7(9)2-1-3-5-6-4-1;/h(H,3,4,5,6);1H3
InChIKeyIDIZDNGGYFWFJD-UHFFFAOYSA-N
XLogP-2.12
TPSA132.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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

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N-nitro-2H-tetrazole-5-carboxamide
CID 170844684
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CID 54338892
N-(2H-tetrazol-5-yl)sulfamate
CID 59847910
5-methanidyl-2H-tetrazole;rutherfordium
CID 161074463
5-(3-nitropyrazol-3-yl)-2H-tetrazole
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3,5-dinitro-N-(2H-tetrazol-5-yl)pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of CID 173309959?
The IUPAC name of CID 173309959 (CID 173309959) is not available.
What is the SMILES notation for CID 173309959?
The canonical SMILES for CID 173309959 is N.O=[N+]([O-])[As]c1nn[nH]n1.
What is the InChIKey of CID 173309959?
The InChIKey is IDIZDNGGYFWFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/CHAsN5O2.H3N/c8-7(9)2-1-3-5-6-4-1;/h(H,3,4,5,6);1H3.
What are the key properties of CID 173309959?
CID 173309959 has a molecular weight of 207.00 g/mol, XLogP of -2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173309959 is sourced from PubChem (CID 173309959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).