CID 59141249

C7H11N3W2 — CID 59141249

IUPAC—
SMILESC=C1N(C)C(=[W])N(C)C(=[W])N1C
InChIInChI=1S/C7H11N3.2W/c1-7-9(3)5-8(2)6-10(7)4;;/h1H2,2-4H3;;
InChIKeyGKFYPSQMWIKIOZ-UHFFFAOYSA-N
MW504.87 g/mol
LogP-0.47
Rot. Bonds

About CID 59141249

CID 59141249 (PubChem CID 59141249) has the molecular formula C7H11N3W2 and a molecular weight of 504.87 g/mol.

Molecular Properties

Compound NameCID 59141249
PubChem CID59141249
Molecular FormulaC7H11N3W2
Molecular Weight504.87 g/mol
Exact Mass505.00
IUPAC Name—
SMILESC=C1N(C)C(=[W])N(C)C(=[W])N1C
InChIInChI=1S/C7H11N3.2W/c1-7-9(3)5-8(2)6-10(7)4;;/h1H2,2-4H3;;
InChIKeyGKFYPSQMWIKIOZ-UHFFFAOYSA-N
XLogP-0.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.87
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59141249?
The IUPAC name of CID 59141249 (CID 59141249) is not available.
What is the SMILES notation for CID 59141249?
The canonical SMILES for CID 59141249 is C=C1N(C)C(=[W])N(C)C(=[W])N1C.
What is the InChIKey of CID 59141249?
The InChIKey is GKFYPSQMWIKIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2W/c1-7-9(3)5-8(2)6-10(7)4;;/h1H2,2-4H3;;.
What are the key properties of CID 59141249?
CID 59141249 has a molecular weight of 504.87 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59141249 is sourced from PubChem (CID 59141249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).