1-chloro-3-hydroxy-1,3,5-triazinane

C3H8ClN3O — CID 22761342

IUPAC1-chloro-3-hydroxy-1,3,5-triazinane
SMILESON1CNCN(Cl)C1
InChIInChI=1S/C3H8ClN3O/c4-6-1-5-2-7(8)3-6/h5,8H,1-3H2
InChIKeyBLBDPOPJHSDEDN-UHFFFAOYSA-N
MW137.57 g/mol
LogP-0.39
Rot. Bonds

About 1-chloro-3-hydroxy-1,3,5-triazinane

1-chloro-3-hydroxy-1,3,5-triazinane (PubChem CID 22761342) has the molecular formula C3H8ClN3O and a molecular weight of 137.57 g/mol. Its IUPAC name is 1-chloro-3-hydroxy-1,3,5-triazinane.

Molecular Properties

Compound Name1-chloro-3-hydroxy-1,3,5-triazinane
PubChem CID22761342
Molecular FormulaC3H8ClN3O
Molecular Weight137.57 g/mol
Exact Mass137.04
IUPAC Name1-chloro-3-hydroxy-1,3,5-triazinane
SMILESON1CNCN(Cl)C1
InChIInChI=1S/C3H8ClN3O/c4-6-1-5-2-7(8)3-6/h5,8H,1-3H2
InChIKeyBLBDPOPJHSDEDN-UHFFFAOYSA-N
XLogP-0.39
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-hydroxy-1,3,5-triazinane?
The IUPAC name of 1-chloro-3-hydroxy-1,3,5-triazinane (CID 22761342) is 1-chloro-3-hydroxy-1,3,5-triazinane.
What is the SMILES notation for 1-chloro-3-hydroxy-1,3,5-triazinane?
The canonical SMILES for 1-chloro-3-hydroxy-1,3,5-triazinane is ON1CNCN(Cl)C1.
What is the InChIKey of 1-chloro-3-hydroxy-1,3,5-triazinane?
The InChIKey is BLBDPOPJHSDEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClN3O/c4-6-1-5-2-7(8)3-6/h5,8H,1-3H2.
What are the key properties of 1-chloro-3-hydroxy-1,3,5-triazinane?
1-chloro-3-hydroxy-1,3,5-triazinane has a molecular weight of 137.57 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-hydroxy-1,3,5-triazinane is sourced from PubChem (CID 22761342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).