2-methyl-4-(oxolan-2-yl)-1,3,5-triazine

C8H11N3O — CID 155126895

IUPAC2-methyl-4-(oxolan-2-yl)-1,3,5-triazine
SMILESCc1ncnc(C2CCCO2)n1
InChIInChI=1S/C8H11N3O/c1-6-9-5-10-8(11-6)7-3-2-4-12-7/h5,7H,2-4H2,1H3
InChIKeyBOOHVXFYVGJPFA-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.03
Rot. Bonds1

About 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine

2-methyl-4-(oxolan-2-yl)-1,3,5-triazine (PubChem CID 155126895) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-(oxolan-2-yl)-1,3,5-triazine
PubChem CID155126895
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-methyl-4-(oxolan-2-yl)-1,3,5-triazine
SMILESCc1ncnc(C2CCCO2)n1
InChIInChI=1S/C8H11N3O/c1-6-9-5-10-8(11-6)7-3-2-4-12-7/h5,7H,2-4H2,1H3
InChIKeyBOOHVXFYVGJPFA-UHFFFAOYSA-N
XLogP1.03
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine (CID 155126895) is 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine is Cc1ncnc(C2CCCO2)n1.
What is the InChIKey of 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine?
The InChIKey is BOOHVXFYVGJPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-9-5-10-8(11-6)7-3-2-4-12-7/h5,7H,2-4H2,1H3.
What are the key properties of 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine?
2-methyl-4-(oxolan-2-yl)-1,3,5-triazine has a molecular weight of 165.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxolan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 155126895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).