CID 159861964

C8H13N6Y- — CID 159861964

IUPAC—
SMILESCc1nnn(C)c1C.Cn1c[c-]nn1.[Y]
InChIInChI=1S/C5H9N3.C3H4N3.Y/c1-4-5(2)8(3)7-6-4;1-6-3-2-4-5-6;/h1-3H3;3H,1H3;/q;-1;
InChIKeyPOIKUUHSKDRZKC-UHFFFAOYSA-N
MW282.14 g/mol
LogP0.04
Rot. Bonds

About CID 159861964

CID 159861964 (PubChem CID 159861964) has the molecular formula C8H13N6Y- and a molecular weight of 282.14 g/mol.

Molecular Properties

Compound NameCID 159861964
PubChem CID159861964
Molecular FormulaC8H13N6Y-
Molecular Weight282.14 g/mol
Exact Mass282.03
IUPAC Name—
SMILESCc1nnn(C)c1C.Cn1c[c-]nn1.[Y]
InChIInChI=1S/C5H9N3.C3H4N3.Y/c1-4-5(2)8(3)7-6-4;1-6-3-2-4-5-6;/h1-3H3;3H,1H3;/q;-1;
InChIKeyPOIKUUHSKDRZKC-UHFFFAOYSA-N
XLogP0.04
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159861964?
The IUPAC name of CID 159861964 (CID 159861964) is not available.
What is the SMILES notation for CID 159861964?
The canonical SMILES for CID 159861964 is Cc1nnn(C)c1C.Cn1c[c-]nn1.[Y].
What is the InChIKey of CID 159861964?
The InChIKey is POIKUUHSKDRZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C3H4N3.Y/c1-4-5(2)8(3)7-6-4;1-6-3-2-4-5-6;/h1-3H3;3H,1H3;/q;-1;.
What are the key properties of CID 159861964?
CID 159861964 has a molecular weight of 282.14 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159861964 is sourced from PubChem (CID 159861964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).