1-hydroxy-1,3,5-triazinane

C3H9N3O — CID 70395140

IUPAC1-hydroxy-1,3,5-triazinane
SMILESON1CNCNC1
InChIInChI=1S/C3H9N3O/c7-6-2-4-1-5-3-6/h4-5,7H,1-3H2
InChIKeyXOOJZIAOIVIGMQ-UHFFFAOYSA-N
MW103.13 g/mol
LogP-1.26
Rot. Bonds

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

1-hydroxy-1,3,5-triazinane (PubChem CID 70395140) has the molecular formula C3H9N3O and a molecular weight of 103.13 g/mol. Its IUPAC name is 1-hydroxy-1,3,5-triazinane.

Molecular Properties

Compound Name1-hydroxy-1,3,5-triazinane
PubChem CID70395140
Molecular FormulaC3H9N3O
Molecular Weight103.13 g/mol
Exact Mass103.07
IUPAC Name1-hydroxy-1,3,5-triazinane
SMILESON1CNCNC1
InChIInChI=1S/C3H9N3O/c7-6-2-4-1-5-3-6/h4-5,7H,1-3H2
InChIKeyXOOJZIAOIVIGMQ-UHFFFAOYSA-N
XLogP-1.26
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.13
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,3,5-triazinane?
The IUPAC name of 1-hydroxy-1,3,5-triazinane (CID 70395140) is 1-hydroxy-1,3,5-triazinane.
What is the SMILES notation for 1-hydroxy-1,3,5-triazinane?
The canonical SMILES for 1-hydroxy-1,3,5-triazinane is ON1CNCNC1.
What is the InChIKey of 1-hydroxy-1,3,5-triazinane?
The InChIKey is XOOJZIAOIVIGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c7-6-2-4-1-5-3-6/h4-5,7H,1-3H2.
What are the key properties of 1-hydroxy-1,3,5-triazinane?
1-hydroxy-1,3,5-triazinane has a molecular weight of 103.13 g/mol, XLogP of -1.26, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,3,5-triazinane is sourced from PubChem (CID 70395140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).