sodium;hydride;1,3,5-triazin-2-yl hexanoate

C9H14N3NaO2 — CID 174730928

IUPACsodium;hydride;1,3,5-triazin-2-yl hexanoate
SMILESCCCCCC(=O)Oc1ncncn1.[H-].[Na+]
InChIInChI=1S/C9H13N3O2.Na.H/c1-2-3-4-5-8(13)14-9-11-6-10-7-12-9;;/h6-7H,2-5H2,1H3;;/q;+1;-1
InChIKeyDCPUGDDVTCHLDV-UHFFFAOYSA-N
MW219.22 g/mol
LogP-1.53
Rot. Bonds5

About sodium;hydride;1,3,5-triazin-2-yl hexanoate

sodium;hydride;1,3,5-triazin-2-yl hexanoate (PubChem CID 174730928) has the molecular formula C9H14N3NaO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is sodium;hydride;1,3,5-triazin-2-yl hexanoate.

Molecular Properties

Compound Namesodium;hydride;1,3,5-triazin-2-yl hexanoate
PubChem CID174730928
Molecular FormulaC9H14N3NaO2
Molecular Weight219.22 g/mol
Exact Mass219.10
IUPAC Namesodium;hydride;1,3,5-triazin-2-yl hexanoate
SMILESCCCCCC(=O)Oc1ncncn1.[H-].[Na+]
InChIInChI=1S/C9H13N3O2.Na.H/c1-2-3-4-5-8(13)14-9-11-6-10-7-12-9;;/h6-7H,2-5H2,1H3;;/q;+1;-1
InChIKeyDCPUGDDVTCHLDV-UHFFFAOYSA-N
XLogP-1.53
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1,3,5-triazin-2-yl hexanoate?
The IUPAC name of sodium;hydride;1,3,5-triazin-2-yl hexanoate (CID 174730928) is sodium;hydride;1,3,5-triazin-2-yl hexanoate.
What is the SMILES notation for sodium;hydride;1,3,5-triazin-2-yl hexanoate?
The canonical SMILES for sodium;hydride;1,3,5-triazin-2-yl hexanoate is CCCCCC(=O)Oc1ncncn1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1,3,5-triazin-2-yl hexanoate?
The InChIKey is DCPUGDDVTCHLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.Na.H/c1-2-3-4-5-8(13)14-9-11-6-10-7-12-9;;/h6-7H,2-5H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;1,3,5-triazin-2-yl hexanoate?
sodium;hydride;1,3,5-triazin-2-yl hexanoate has a molecular weight of 219.22 g/mol, XLogP of -1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1,3,5-triazin-2-yl hexanoate is sourced from PubChem (CID 174730928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).