CID 163439801

C9H13N3SXe — CID 163439801

IUPAC—
SMILESCC(C)(C)C1=c2ncnc(N)c2=[XeH]S1
InChIInChI=1S/C9H13N3SXe/c1-9(2,3)7-5-6(14-13-7)8(10)12-4-11-5/h4,14H,1-3H3,(H2,10,11,12)
InChIKeyAXOBLAPDZPGBAD-UHFFFAOYSA-N
MW326.58 g/mol
LogP0.94
Rot. Bonds

About CID 163439801

CID 163439801 (PubChem CID 163439801) has the molecular formula C9H13N3SXe and a molecular weight of 326.58 g/mol.

Molecular Properties

Compound NameCID 163439801
PubChem CID163439801
Molecular FormulaC9H13N3SXe
Molecular Weight326.58 g/mol
Exact Mass326.99
IUPAC Name—
SMILESCC(C)(C)C1=c2ncnc(N)c2=[XeH]S1
InChIInChI=1S/C9H13N3SXe/c1-9(2,3)7-5-6(14-13-7)8(10)12-4-11-5/h4,14H,1-3H3,(H2,10,11,12)
InChIKeyAXOBLAPDZPGBAD-UHFFFAOYSA-N
XLogP0.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 163439801?
The IUPAC name of CID 163439801 (CID 163439801) is not available.
What is the SMILES notation for CID 163439801?
The canonical SMILES for CID 163439801 is CC(C)(C)C1=c2ncnc(N)c2=[XeH]S1.
What is the InChIKey of CID 163439801?
The InChIKey is AXOBLAPDZPGBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3SXe/c1-9(2,3)7-5-6(14-13-7)8(10)12-4-11-5/h4,14H,1-3H3,(H2,10,11,12).
What are the key properties of CID 163439801?
CID 163439801 has a molecular weight of 326.58 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163439801 is sourced from PubChem (CID 163439801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).