CID 59952122

C12H15N3O6 — CID 59952122

IUPAC—
SMILES[CH]OCCn1c(=O)n(CCO[CH])c(=O)n(CCO[CH])c1=O
InChIInChI=1S/C12H15N3O6/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3/h1-3H,4-9H2
InChIKeyNPVZFPVLQFPUCC-UHFFFAOYSA-N
MW297.27 g/mol
LogP-1.77
Rot. Bonds9

About CID 59952122

CID 59952122 (PubChem CID 59952122) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol.

Molecular Properties

Compound NameCID 59952122
PubChem CID59952122
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name—
SMILES[CH]OCCn1c(=O)n(CCO[CH])c(=O)n(CCO[CH])c1=O
InChIInChI=1S/C12H15N3O6/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3/h1-3H,4-9H2
InChIKeyNPVZFPVLQFPUCC-UHFFFAOYSA-N
XLogP-1.77
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1,3,5-Tris(2-hydroxyethyl) isocyanurate
CID 13286
N,N-bis(2-methoxyethyl)morpholine-4-carboxamide
CID 4254013
1-Methyl 3,5-bis-(2-hydroxyethyl) isocyanurate
CID 23550168
1,3,5-Tris(2-prop-2-ynoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 90225111
1,3-Diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 15307684
1-(2-Butoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 20208941
2-[3,5-Bis(2-carbonochloridoyloxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl carbonochloridate
CID 20358561
1,3,5-Tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 20643254
N-acetyl-N-methylmorpholine-4-carboxamide
CID 20687119
N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride
CID 54356739
1-(Hydroperoxymethyl)-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 57616821
1-Ethyl-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 57669293

Frequently Asked Questions

What is the IUPAC name of CID 59952122?
The IUPAC name of CID 59952122 (CID 59952122) is not available.
What is the SMILES notation for CID 59952122?
The canonical SMILES for CID 59952122 is [CH]OCCn1c(=O)n(CCO[CH])c(=O)n(CCO[CH])c1=O.
What is the InChIKey of CID 59952122?
The InChIKey is NPVZFPVLQFPUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-19-7-4-13-10(16)14(5-8-20-2)12(18)15(11(13)17)6-9-21-3/h1-3H,4-9H2.
What are the key properties of CID 59952122?
CID 59952122 has a molecular weight of 297.27 g/mol, XLogP of -1.77, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59952122 is sourced from PubChem (CID 59952122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).