CID 11703560

C15H20ClN5NaO3 — CID 11703560

IUPAC—
SMILESCCNc1nc(Cl)nc(NC(C)C)n1.O=C(O)c1ccccc1O.[Na]
InChIInChI=1S/C8H14ClN5.C7H6O3.Na/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3;8-6-4-2-1-3-5(6)7(9)10;/h5H,4H2,1-3H3,(H2,10,11,12,13,14);1-4,8H,(H,9,10);
InChIKeyBLDSORMLVXTDCQ-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.49
Rot. Bonds5

About CID 11703560

CID 11703560 (PubChem CID 11703560) has the molecular formula C15H20ClN5NaO3 and a molecular weight of 376.80 g/mol.

Molecular Properties

Compound NameCID 11703560
PubChem CID11703560
Molecular FormulaC15H20ClN5NaO3
Molecular Weight376.80 g/mol
Exact Mass376.12
IUPAC Name—
SMILESCCNc1nc(Cl)nc(NC(C)C)n1.O=C(O)c1ccccc1O.[Na]
InChIInChI=1S/C8H14ClN5.C7H6O3.Na/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3;8-6-4-2-1-3-5(6)7(9)10;/h5H,4H2,1-3H3,(H2,10,11,12,13,14);1-4,8H,(H,9,10);
InChIKeyBLDSORMLVXTDCQ-UHFFFAOYSA-N
XLogP2.49
TPSA120.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 11703560?
The IUPAC name of CID 11703560 (CID 11703560) is not available.
What is the SMILES notation for CID 11703560?
The canonical SMILES for CID 11703560 is CCNc1nc(Cl)nc(NC(C)C)n1.O=C(O)c1ccccc1O.[Na].
What is the InChIKey of CID 11703560?
The InChIKey is BLDSORMLVXTDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5.C7H6O3.Na/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3;8-6-4-2-1-3-5(6)7(9)10;/h5H,4H2,1-3H3,(H2,10,11,12,13,14);1-4,8H,(H,9,10);.
What are the key properties of CID 11703560?
CID 11703560 has a molecular weight of 376.80 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11703560 is sourced from PubChem (CID 11703560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).