CID 175739173

C12H14KN2O — CID 175739173

IUPAC—
SMILESC=CN1CCC(Cc2cccnc2)=C1O.[K]
InChIInChI=1S/C12H14N2O.K/c1-2-14-7-5-11(12(14)15)8-10-4-3-6-13-9-10;/h2-4,6,9,15H,1,5,7-8H2;
InChIKeyIRCIXLXZGZTPGC-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.86
Rot. Bonds3

About CID 175739173

CID 175739173 (PubChem CID 175739173) has the molecular formula C12H14KN2O and a molecular weight of 241.36 g/mol.

Molecular Properties

Compound NameCID 175739173
PubChem CID175739173
Molecular FormulaC12H14KN2O
Molecular Weight241.36 g/mol
Exact Mass241.07
IUPAC Name—
SMILESC=CN1CCC(Cc2cccnc2)=C1O.[K]
InChIInChI=1S/C12H14N2O.K/c1-2-14-7-5-11(12(14)15)8-10-4-3-6-13-9-10;/h2-4,6,9,15H,1,5,7-8H2;
InChIKeyIRCIXLXZGZTPGC-UHFFFAOYSA-N
XLogP1.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 175739173?
The IUPAC name of CID 175739173 (CID 175739173) is not available.
What is the SMILES notation for CID 175739173?
The canonical SMILES for CID 175739173 is C=CN1CCC(Cc2cccnc2)=C1O.[K].
What is the InChIKey of CID 175739173?
The InChIKey is IRCIXLXZGZTPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.K/c1-2-14-7-5-11(12(14)15)8-10-4-3-6-13-9-10;/h2-4,6,9,15H,1,5,7-8H2;.
What are the key properties of CID 175739173?
CID 175739173 has a molecular weight of 241.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175739173 is sourced from PubChem (CID 175739173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).