CID 168986753

C10H17N3Rb- — CID 168986753

IUPAC—
SMILESCc1cc2n(n1)CC[C-](C)NC2.[CH3-].[Rb+]
InChIInChI=1S/C9H14N3.CH3.Rb/c1-7-3-4-12-9(6-10-7)5-8(2)11-12;;/h5,10H,3-4,6H2,1-2H3;1H3;/q2*-1;+1
InChIKeyZDSQVTSXNFZCEX-UHFFFAOYSA-N
MW264.73 g/mol
LogP-1.31
Rot. Bonds

About CID 168986753

CID 168986753 (PubChem CID 168986753) has the molecular formula C10H17N3Rb- and a molecular weight of 264.73 g/mol.

Molecular Properties

Compound NameCID 168986753
PubChem CID168986753
Molecular FormulaC10H17N3Rb-
Molecular Weight264.73 g/mol
Exact Mass264.05
IUPAC Name—
SMILESCc1cc2n(n1)CC[C-](C)NC2.[CH3-].[Rb+]
InChIInChI=1S/C9H14N3.CH3.Rb/c1-7-3-4-12-9(6-10-7)5-8(2)11-12;;/h5,10H,3-4,6H2,1-2H3;1H3;/q2*-1;+1
InChIKeyZDSQVTSXNFZCEX-UHFFFAOYSA-N
XLogP-1.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 168986753?
The IUPAC name of CID 168986753 (CID 168986753) is not available.
What is the SMILES notation for CID 168986753?
The canonical SMILES for CID 168986753 is Cc1cc2n(n1)CC[C-](C)NC2.[CH3-].[Rb+].
What is the InChIKey of CID 168986753?
The InChIKey is ZDSQVTSXNFZCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N3.CH3.Rb/c1-7-3-4-12-9(6-10-7)5-8(2)11-12;;/h5,10H,3-4,6H2,1-2H3;1H3;/q2*-1;+1.
What are the key properties of CID 168986753?
CID 168986753 has a molecular weight of 264.73 g/mol, XLogP of -1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168986753 is sourced from PubChem (CID 168986753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).