CID 174101874

C10H15BN4O — CID 174101874

IUPAC—
SMILES[B]c1cn(C)c(=O)c(N2CCN(C)CC2)n1
InChIInChI=1S/C10H15BN4O/c1-13-3-5-15(6-4-13)9-10(16)14(2)7-8(11)12-9/h7H,3-6H2,1-2H3
InChIKeyBXUXJHCDNLMGRP-UHFFFAOYSA-N
MW218.07 g/mol
LogP-1.67
Rot. Bonds1

About CID 174101874

CID 174101874 (PubChem CID 174101874) has the molecular formula C10H15BN4O and a molecular weight of 218.07 g/mol.

Molecular Properties

Compound NameCID 174101874
PubChem CID174101874
Molecular FormulaC10H15BN4O
Molecular Weight218.07 g/mol
Exact Mass218.13
IUPAC Name—
SMILES[B]c1cn(C)c(=O)c(N2CCN(C)CC2)n1
InChIInChI=1S/C10H15BN4O/c1-13-3-5-15(6-4-13)9-10(16)14(2)7-8(11)12-9/h7H,3-6H2,1-2H3
InChIKeyBXUXJHCDNLMGRP-UHFFFAOYSA-N
XLogP-1.67
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 174101874 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 174101874?
The IUPAC name of CID 174101874 (CID 174101874) is not available.
What is the SMILES notation for CID 174101874?
The canonical SMILES for CID 174101874 is [B]c1cn(C)c(=O)c(N2CCN(C)CC2)n1.
What is the InChIKey of CID 174101874?
The InChIKey is BXUXJHCDNLMGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BN4O/c1-13-3-5-15(6-4-13)9-10(16)14(2)7-8(11)12-9/h7H,3-6H2,1-2H3.
What are the key properties of CID 174101874?
CID 174101874 has a molecular weight of 218.07 g/mol, XLogP of -1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174101874 is sourced from PubChem (CID 174101874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).