CID 134966229

C13H17N3 — CID 134966229

IUPAC—
SMILESCC1=NN(c2c(C)cc(C)cc2C)[C]N1C
InChIInChI=1S/C13H17N3/c1-9-6-10(2)13(11(3)7-9)16-8-15(5)12(4)14-16/h6-7H,1-5H3
InChIKeyOAYLIVMGQOFUDZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.69
Rot. Bonds1

About CID 134966229

CID 134966229 (PubChem CID 134966229) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol.

Molecular Properties

Compound NameCID 134966229
PubChem CID134966229
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name—
SMILESCC1=NN(c2c(C)cc(C)cc2C)[C]N1C
InChIInChI=1S/C13H17N3/c1-9-6-10(2)13(11(3)7-9)16-8-15(5)12(4)14-16/h6-7H,1-5H3
InChIKeyOAYLIVMGQOFUDZ-UHFFFAOYSA-N
XLogP2.69
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 134966229?
The IUPAC name of CID 134966229 (CID 134966229) is not available.
What is the SMILES notation for CID 134966229?
The canonical SMILES for CID 134966229 is CC1=NN(c2c(C)cc(C)cc2C)[C]N1C.
What is the InChIKey of CID 134966229?
The InChIKey is OAYLIVMGQOFUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-6-10(2)13(11(3)7-9)16-8-15(5)12(4)14-16/h6-7H,1-5H3.
What are the key properties of CID 134966229?
CID 134966229 has a molecular weight of 215.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134966229 is sourced from PubChem (CID 134966229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).