CID 166446131

C11H13N3 — CID 166446131

IUPAC—
SMILESCc1cc(C)c(N2[C]N=CN2)c(C)c1
InChIInChI=1S/C11H13N3/c1-8-4-9(2)11(10(3)5-8)14-7-12-6-13-14/h4-6H,1-3H3,(H,12,13)
InChIKeyWMYKGJWLPMIARH-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.96
Rot. Bonds1

About CID 166446131

CID 166446131 (PubChem CID 166446131) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol.

Molecular Properties

Compound NameCID 166446131
PubChem CID166446131
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name—
SMILESCc1cc(C)c(N2[C]N=CN2)c(C)c1
InChIInChI=1S/C11H13N3/c1-8-4-9(2)11(10(3)5-8)14-7-12-6-13-14/h4-6H,1-3H3,(H,12,13)
InChIKeyWMYKGJWLPMIARH-UHFFFAOYSA-N
XLogP1.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 166446131?
The IUPAC name of CID 166446131 (CID 166446131) is not available.
What is the SMILES notation for CID 166446131?
The canonical SMILES for CID 166446131 is Cc1cc(C)c(N2[C]N=CN2)c(C)c1.
What is the InChIKey of CID 166446131?
The InChIKey is WMYKGJWLPMIARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-4-9(2)11(10(3)5-8)14-7-12-6-13-14/h4-6H,1-3H3,(H,12,13).
What are the key properties of CID 166446131?
CID 166446131 has a molecular weight of 187.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166446131 is sourced from PubChem (CID 166446131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).