CID 177463521

C15H17N3O2 — CID 177463521

IUPAC—
SMILESC[C]1n2c(=O)n(C)c(=O)n2[C](c2ccccc2)C1(C)C
InChIInChI=1S/C15H17N3O2/c1-10-15(2,3)12(11-8-6-5-7-9-11)18-14(20)16(4)13(19)17(10)18/h5-9H,1-4H3
InChIKeyJBCVRYPBQUFYCZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.22
Rot. Bonds1

About CID 177463521

CID 177463521 (PubChem CID 177463521) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol.

Molecular Properties

Compound NameCID 177463521
PubChem CID177463521
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name—
SMILESC[C]1n2c(=O)n(C)c(=O)n2[C](c2ccccc2)C1(C)C
InChIInChI=1S/C15H17N3O2/c1-10-15(2,3)12(11-8-6-5-7-9-11)18-14(20)16(4)13(19)17(10)18/h5-9H,1-4H3
InChIKeyJBCVRYPBQUFYCZ-UHFFFAOYSA-N
XLogP1.22
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 177463521?
The IUPAC name of CID 177463521 (CID 177463521) is not available.
What is the SMILES notation for CID 177463521?
The canonical SMILES for CID 177463521 is C[C]1n2c(=O)n(C)c(=O)n2[C](c2ccccc2)C1(C)C.
What is the InChIKey of CID 177463521?
The InChIKey is JBCVRYPBQUFYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-15(2,3)12(11-8-6-5-7-9-11)18-14(20)16(4)13(19)17(10)18/h5-9H,1-4H3.
What are the key properties of CID 177463521?
CID 177463521 has a molecular weight of 271.32 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177463521 is sourced from PubChem (CID 177463521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).