CID 59369476

C10H10ClN3O — CID 59369476

IUPAC—
SMILES[CH]c1nc(Cl)nc2c1CN(C(C)=O)CC2
InChIInChI=1S/C10H10ClN3O/c1-6-8-5-14(7(2)15)4-3-9(8)13-10(11)12-6/h1H,3-5H2,2H3
InChIKeyIIGWXYUQLUJUPL-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.09
Rot. Bonds

About CID 59369476

CID 59369476 (PubChem CID 59369476) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol.

Molecular Properties

Compound NameCID 59369476
PubChem CID59369476
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name—
SMILES[CH]c1nc(Cl)nc2c1CN(C(C)=O)CC2
InChIInChI=1S/C10H10ClN3O/c1-6-8-5-14(7(2)15)4-3-9(8)13-10(11)12-6/h1H,3-5H2,2H3
InChIKeyIIGWXYUQLUJUPL-UHFFFAOYSA-N
XLogP1.09
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59369476?
The IUPAC name of CID 59369476 (CID 59369476) is not available.
What is the SMILES notation for CID 59369476?
The canonical SMILES for CID 59369476 is [CH]c1nc(Cl)nc2c1CN(C(C)=O)CC2.
What is the InChIKey of CID 59369476?
The InChIKey is IIGWXYUQLUJUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6-8-5-14(7(2)15)4-3-9(8)13-10(11)12-6/h1H,3-5H2,2H3.
What are the key properties of CID 59369476?
CID 59369476 has a molecular weight of 223.66 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369476 is sourced from PubChem (CID 59369476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).