CID 59303657

C11H13N3O — CID 59303657

IUPAC—
SMILES[CH]C(=O)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C11H13N3O/c1-9(15)10-3-6-14(7-4-10)11-2-5-12-8-13-11/h1-2,5,8,10H,3-4,6-7H2
InChIKeyFDBJJXQLSFNORE-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.97
Rot. Bonds2

About CID 59303657

CID 59303657 (PubChem CID 59303657) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol.

Molecular Properties

Compound NameCID 59303657
PubChem CID59303657
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name—
SMILES[CH]C(=O)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C11H13N3O/c1-9(15)10-3-6-14(7-4-10)11-2-5-12-8-13-11/h1-2,5,8,10H,3-4,6-7H2
InChIKeyFDBJJXQLSFNORE-UHFFFAOYSA-N
XLogP0.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59303657?
The IUPAC name of CID 59303657 (CID 59303657) is not available.
What is the SMILES notation for CID 59303657?
The canonical SMILES for CID 59303657 is [CH]C(=O)C1CCN(c2ccncn2)CC1.
What is the InChIKey of CID 59303657?
The InChIKey is FDBJJXQLSFNORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(15)10-3-6-14(7-4-10)11-2-5-12-8-13-11/h1-2,5,8,10H,3-4,6-7H2.
What are the key properties of CID 59303657?
CID 59303657 has a molecular weight of 203.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303657 is sourced from PubChem (CID 59303657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).