CID 134848815

C16H18N3O — CID 134848815

IUPAC—
SMILESCC1(C)c2cnc(-c3ccccn3)cc2C(C)(C)N1[O]
InChIInChI=1S/C16H18N3O/c1-15(2)11-9-14(13-7-5-6-8-17-13)18-10-12(11)16(3,4)19(15)20/h5-10H,1-4H3
InChIKeyHASGYSUQVIJEGX-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.27
Rot. Bonds1

About CID 134848815

CID 134848815 (PubChem CID 134848815) has the molecular formula C16H18N3O and a molecular weight of 268.34 g/mol.

Molecular Properties

Compound NameCID 134848815
PubChem CID134848815
Molecular FormulaC16H18N3O
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name—
SMILESCC1(C)c2cnc(-c3ccccn3)cc2C(C)(C)N1[O]
InChIInChI=1S/C16H18N3O/c1-15(2)11-9-14(13-7-5-6-8-17-13)18-10-12(11)16(3,4)19(15)20/h5-10H,1-4H3
InChIKeyHASGYSUQVIJEGX-UHFFFAOYSA-N
XLogP3.27
TPSA48.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 134848815?
The IUPAC name of CID 134848815 (CID 134848815) is not available.
What is the SMILES notation for CID 134848815?
The canonical SMILES for CID 134848815 is CC1(C)c2cnc(-c3ccccn3)cc2C(C)(C)N1[O].
What is the InChIKey of CID 134848815?
The InChIKey is HASGYSUQVIJEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N3O/c1-15(2)11-9-14(13-7-5-6-8-17-13)18-10-12(11)16(3,4)19(15)20/h5-10H,1-4H3.
What are the key properties of CID 134848815?
CID 134848815 has a molecular weight of 268.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134848815 is sourced from PubChem (CID 134848815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).