4-(oxan-2-yl)-1,3,5-triazin-2-amine

C8H12N4O — CID 91114238

IUPAC4-(oxan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(C2CCCCO2)n1
InChIInChI=1S/C8H12N4O/c9-8-11-5-10-7(12-8)6-3-1-2-4-13-6/h5-6H,1-4H2,(H2,9,10,11,12)
InChIKeyPIBLZNYZPRGZJV-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.70
Rot. Bonds1

About 4-(oxan-2-yl)-1,3,5-triazin-2-amine

4-(oxan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 91114238) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(oxan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(oxan-2-yl)-1,3,5-triazin-2-amine
PubChem CID91114238
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-(oxan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(C2CCCCO2)n1
InChIInChI=1S/C8H12N4O/c9-8-11-5-10-7(12-8)6-3-1-2-4-13-6/h5-6H,1-4H2,(H2,9,10,11,12)
InChIKeyPIBLZNYZPRGZJV-UHFFFAOYSA-N
XLogP0.70
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(oxan-2-yl)-1,3,5-triazin-2-amine (CID 91114238) is 4-(oxan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(oxan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(oxan-2-yl)-1,3,5-triazin-2-amine is Nc1ncnc(C2CCCCO2)n1.
What is the InChIKey of 4-(oxan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is PIBLZNYZPRGZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-8-11-5-10-7(12-8)6-3-1-2-4-13-6/h5-6H,1-4H2,(H2,9,10,11,12).
What are the key properties of 4-(oxan-2-yl)-1,3,5-triazin-2-amine?
4-(oxan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 180.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 91114238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).