CID 155729273

C18H24N4O3 — CID 155729273

IUPAC—
SMILESCC1CC2CC(C)C3(OOC4(N=NNN4c4ccccc4)O3)C(C1)C2
InChIInChI=1S/C18H24N4O3/c1-12-8-14-10-13(2)17(15(9-12)11-14)23-18(25-24-17)19-20-21-22(18)16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H,19,21)
InChIKeyCPRRTVYBRIZZBX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.76
Rot. Bonds1

About CID 155729273

CID 155729273 (PubChem CID 155729273) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol.

Molecular Properties

Compound NameCID 155729273
PubChem CID155729273
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name—
SMILESCC1CC2CC(C)C3(OOC4(N=NNN4c4ccccc4)O3)C(C1)C2
InChIInChI=1S/C18H24N4O3/c1-12-8-14-10-13(2)17(15(9-12)11-14)23-18(25-24-17)19-20-21-22(18)16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H,19,21)
InChIKeyCPRRTVYBRIZZBX-UHFFFAOYSA-N
XLogP3.76
TPSA67.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155729273?
The IUPAC name of CID 155729273 (CID 155729273) is not available.
What is the SMILES notation for CID 155729273?
The canonical SMILES for CID 155729273 is CC1CC2CC(C)C3(OOC4(N=NNN4c4ccccc4)O3)C(C1)C2.
What is the InChIKey of CID 155729273?
The InChIKey is CPRRTVYBRIZZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-8-14-10-13(2)17(15(9-12)11-14)23-18(25-24-17)19-20-21-22(18)16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H,19,21).
What are the key properties of CID 155729273?
CID 155729273 has a molecular weight of 344.42 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155729273 is sourced from PubChem (CID 155729273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).