CID 155348940

C17H25N5O3 — CID 155348940

IUPAC—
SMILESC1C2CC3CC1CC(C2)C31OOC2(CCC(Nc3nn[nH]n3)CC2)O1
InChIInChI=1S/C17H25N5O3/c1-3-16(4-2-14(1)18-15-19-21-22-20-15)23-17(25-24-16)12-6-10-5-11(8-12)9-13(17)7-10/h10-14H,1-9H2,(H2,18,19,20,21,22)
InChIKeyDLHCOEMSRRHZLI-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.38
Rot. Bonds2

About CID 155348940

CID 155348940 (PubChem CID 155348940) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol.

Molecular Properties

Compound NameCID 155348940
PubChem CID155348940
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name—
SMILESC1C2CC3CC1CC(C2)C31OOC2(CCC(Nc3nn[nH]n3)CC2)O1
InChIInChI=1S/C17H25N5O3/c1-3-16(4-2-14(1)18-15-19-21-22-20-15)23-17(25-24-16)12-6-10-5-11(8-12)9-13(17)7-10/h10-14H,1-9H2,(H2,18,19,20,21,22)
InChIKeyDLHCOEMSRRHZLI-UHFFFAOYSA-N
XLogP2.38
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
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 155348940?
The IUPAC name of CID 155348940 (CID 155348940) is not available.
What is the SMILES notation for CID 155348940?
The canonical SMILES for CID 155348940 is C1C2CC3CC1CC(C2)C31OOC2(CCC(Nc3nn[nH]n3)CC2)O1.
What is the InChIKey of CID 155348940?
The InChIKey is DLHCOEMSRRHZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-3-16(4-2-14(1)18-15-19-21-22-20-15)23-17(25-24-16)12-6-10-5-11(8-12)9-13(17)7-10/h10-14H,1-9H2,(H2,18,19,20,21,22).
What are the key properties of CID 155348940?
CID 155348940 has a molecular weight of 347.42 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155348940 is sourced from PubChem (CID 155348940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).