CID 164595910

C8H9AsN5 — CID 164595910

IUPAC—
SMILESC=C/C=C(\N=C)c1ncnc(N[AsH])n1
InChIInChI=1S/C8H9AsN5/c1-3-4-6(10-2)7-11-5-12-8(13-7)14-9/h3-5,9H,1-2H2,(H,11,12,13,14)/b6-4-
InChIKeySYBMFKGREIAKEQ-XQRVVYSFSA-N
MW250.12 g/mol
LogP0.33
Rot. Bonds4

About CID 164595910

CID 164595910 (PubChem CID 164595910) has the molecular formula C8H9AsN5 and a molecular weight of 250.12 g/mol.

Molecular Properties

Compound NameCID 164595910
PubChem CID164595910
Molecular FormulaC8H9AsN5
Molecular Weight250.12 g/mol
Exact Mass250.01
IUPAC Name—
SMILESC=C/C=C(\N=C)c1ncnc(N[AsH])n1
InChIInChI=1S/C8H9AsN5/c1-3-4-6(10-2)7-11-5-12-8(13-7)14-9/h3-5,9H,1-2H2,(H,11,12,13,14)/b6-4-
InChIKeySYBMFKGREIAKEQ-XQRVVYSFSA-N
XLogP0.33
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164595910?
The IUPAC name of CID 164595910 (CID 164595910) is not available.
What is the SMILES notation for CID 164595910?
The canonical SMILES for CID 164595910 is C=C/C=C(\N=C)c1ncnc(N[AsH])n1.
What is the InChIKey of CID 164595910?
The InChIKey is SYBMFKGREIAKEQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H9AsN5/c1-3-4-6(10-2)7-11-5-12-8(13-7)14-9/h3-5,9H,1-2H2,(H,11,12,13,14)/b6-4-.
What are the key properties of CID 164595910?
CID 164595910 has a molecular weight of 250.12 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164595910 is sourced from PubChem (CID 164595910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).