CID 8608631

C15H18N4O2 — CID 8608631

IUPAC—
SMILESCC1CCC2(CC1)[C@@]1(C#N)C3(N=C(N)[C@@]21C#N)OCCO3
InChIInChI=1S/C15H18N4O2/c1-10-2-4-12(5-3-10)13(8-16)11(18)19-15(14(12,13)9-17)20-6-7-21-15/h10H,2-7H2,1H3,(H2,18,19)/t10?,12?,13-,14+/m0/s1
InChIKeyUGACVPOAUVJRHY-AKUTZHFWSA-N
MW286.33 g/mol
LogP1.29
Rot. Bonds

About CID 8608631

CID 8608631 (PubChem CID 8608631) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol.

Molecular Properties

Compound NameCID 8608631
PubChem CID8608631
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name—
SMILESCC1CCC2(CC1)[C@@]1(C#N)C3(N=C(N)[C@@]21C#N)OCCO3
InChIInChI=1S/C15H18N4O2/c1-10-2-4-12(5-3-10)13(8-16)11(18)19-15(14(12,13)9-17)20-6-7-21-15/h10H,2-7H2,1H3,(H2,18,19)/t10?,12?,13-,14+/m0/s1
InChIKeyUGACVPOAUVJRHY-AKUTZHFWSA-N
XLogP1.29
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 8608631 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 8608631?
The IUPAC name of CID 8608631 (CID 8608631) is not available.
What is the SMILES notation for CID 8608631?
The canonical SMILES for CID 8608631 is CC1CCC2(CC1)[C@@]1(C#N)C3(N=C(N)[C@@]21C#N)OCCO3.
What is the InChIKey of CID 8608631?
The InChIKey is UGACVPOAUVJRHY-AKUTZHFWSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-2-4-12(5-3-10)13(8-16)11(18)19-15(14(12,13)9-17)20-6-7-21-15/h10H,2-7H2,1H3,(H2,18,19)/t10?,12?,13-,14+/m0/s1.
What are the key properties of CID 8608631?
CID 8608631 has a molecular weight of 286.33 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 8608631 is sourced from PubChem (CID 8608631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).