CID 164889577

C8H13N4OSe — CID 164889577

IUPAC—
SMILESCCN1C(=O)N(CC)[C@H]2N=C([Se])N[C@H]21
InChIInChI=1S/C8H13N4OSe/c1-3-11-5-6(10-7(14)9-5)12(4-2)8(11)13/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+
InChIKeyKPHYNEOZEJYZJM-OLQVQODUSA-N
MW260.18 g/mol
LogP-0.46
Rot. Bonds2

About CID 164889577

CID 164889577 (PubChem CID 164889577) has the molecular formula C8H13N4OSe and a molecular weight of 260.18 g/mol.

Molecular Properties

Compound NameCID 164889577
PubChem CID164889577
Molecular FormulaC8H13N4OSe
Molecular Weight260.18 g/mol
Exact Mass261.03
IUPAC Name—
SMILESCCN1C(=O)N(CC)[C@H]2N=C([Se])N[C@H]21
InChIInChI=1S/C8H13N4OSe/c1-3-11-5-6(10-7(14)9-5)12(4-2)8(11)13/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+
InChIKeyKPHYNEOZEJYZJM-OLQVQODUSA-N
XLogP-0.46
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164889577?
The IUPAC name of CID 164889577 (CID 164889577) is not available.
What is the SMILES notation for CID 164889577?
The canonical SMILES for CID 164889577 is CCN1C(=O)N(CC)[C@H]2N=C([Se])N[C@H]21.
What is the InChIKey of CID 164889577?
The InChIKey is KPHYNEOZEJYZJM-OLQVQODUSA-N. The full InChI is InChI=1S/C8H13N4OSe/c1-3-11-5-6(10-7(14)9-5)12(4-2)8(11)13/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+.
What are the key properties of CID 164889577?
CID 164889577 has a molecular weight of 260.18 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164889577 is sourced from PubChem (CID 164889577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).