1,3,5-triazin-2-ylmethanol

C4H5N3O — CID 18997941

IUPAC1,3,5-triazin-2-ylmethanol
SMILESOCc1ncncn1
InChIInChI=1S/C4H5N3O/c8-1-4-6-2-5-3-7-4/h2-3,8H,1H2
InChIKeyURVVHFHOPAAHBX-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.64
Rot. Bonds1

About 1,3,5-triazin-2-ylmethanol

1,3,5-triazin-2-ylmethanol (PubChem CID 18997941) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 1,3,5-triazin-2-ylmethanol.

Molecular Properties

Compound Name1,3,5-triazin-2-ylmethanol
PubChem CID18997941
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name1,3,5-triazin-2-ylmethanol
SMILESOCc1ncncn1
InChIInChI=1S/C4H5N3O/c8-1-4-6-2-5-3-7-4/h2-3,8H,1H2
InChIKeyURVVHFHOPAAHBX-UHFFFAOYSA-N
XLogP-0.64
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-ylmethanol?
The IUPAC name of 1,3,5-triazin-2-ylmethanol (CID 18997941) is 1,3,5-triazin-2-ylmethanol.
What is the SMILES notation for 1,3,5-triazin-2-ylmethanol?
The canonical SMILES for 1,3,5-triazin-2-ylmethanol is OCc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-ylmethanol?
The InChIKey is URVVHFHOPAAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c8-1-4-6-2-5-3-7-4/h2-3,8H,1H2.
What are the key properties of 1,3,5-triazin-2-ylmethanol?
1,3,5-triazin-2-ylmethanol has a molecular weight of 111.10 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-ylmethanol is sourced from PubChem (CID 18997941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).