sodium;hydride;1,3,5-triazinane-2-carbaldehyde

C4H10N3NaO — CID 174443719

IUPACsodium;hydride;1,3,5-triazinane-2-carbaldehyde
SMILESO=CC1NCNCN1.[H-].[Na+]
InChIInChI=1S/C4H9N3O.Na.H/c8-1-4-6-2-5-3-7-4;;/h1,4-7H,2-3H2;;/q;+1;-1
InChIKeyRIICFVNRLQQCIJ-UHFFFAOYSA-N
MW139.13 g/mol
LogP-4.67
Rot. Bonds1

About sodium;hydride;1,3,5-triazinane-2-carbaldehyde

sodium;hydride;1,3,5-triazinane-2-carbaldehyde (PubChem CID 174443719) has the molecular formula C4H10N3NaO and a molecular weight of 139.13 g/mol. Its IUPAC name is sodium;hydride;1,3,5-triazinane-2-carbaldehyde.

Molecular Properties

Compound Namesodium;hydride;1,3,5-triazinane-2-carbaldehyde
PubChem CID174443719
Molecular FormulaC4H10N3NaO
Molecular Weight139.13 g/mol
Exact Mass139.07
IUPAC Namesodium;hydride;1,3,5-triazinane-2-carbaldehyde
SMILESO=CC1NCNCN1.[H-].[Na+]
InChIInChI=1S/C4H9N3O.Na.H/c8-1-4-6-2-5-3-7-4;;/h1,4-7H,2-3H2;;/q;+1;-1
InChIKeyRIICFVNRLQQCIJ-UHFFFAOYSA-N
XLogP-4.67
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-4.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1,3,5-triazinane-2-carbaldehyde?
The IUPAC name of sodium;hydride;1,3,5-triazinane-2-carbaldehyde (CID 174443719) is sodium;hydride;1,3,5-triazinane-2-carbaldehyde.
What is the SMILES notation for sodium;hydride;1,3,5-triazinane-2-carbaldehyde?
The canonical SMILES for sodium;hydride;1,3,5-triazinane-2-carbaldehyde is O=CC1NCNCN1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1,3,5-triazinane-2-carbaldehyde?
The InChIKey is RIICFVNRLQQCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O.Na.H/c8-1-4-6-2-5-3-7-4;;/h1,4-7H,2-3H2;;/q;+1;-1.
What are the key properties of sodium;hydride;1,3,5-triazinane-2-carbaldehyde?
sodium;hydride;1,3,5-triazinane-2-carbaldehyde has a molecular weight of 139.13 g/mol, XLogP of -4.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1,3,5-triazinane-2-carbaldehyde is sourced from PubChem (CID 174443719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).