2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C13H20N4O — CID 136840545

IUPAC2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC1CC(c2nc3n(n2)C(C2CCOC2)CCN3)C1
InChIInChI=1S/C13H20N4O/c1-2-9(3-1)12-15-13-14-6-4-11(17(13)16-12)10-5-7-18-8-10/h9-11H,1-8H2,(H,14,15,16)
InChIKeyHIKHOZUIVIXXCP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.94
Rot. Bonds2

About 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136840545) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136840545
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC1CC(c2nc3n(n2)C(C2CCOC2)CCN3)C1
InChIInChI=1S/C13H20N4O/c1-2-9(3-1)12-15-13-14-6-4-11(17(13)16-12)10-5-7-18-8-10/h9-11H,1-8H2,(H,14,15,16)
InChIKeyHIKHOZUIVIXXCP-UHFFFAOYSA-N
XLogP1.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclobutyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136840547
2-[7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 136776020
2-(oxan-4-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841290
7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839761
2-methyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709222
2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839760
4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 137012219
2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838885
2-cyclobutyl-7-(2-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840548
2-cyclobutyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840532
7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839768
4-(oxolan-3-yl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine
CID 136841460

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136840545) is 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is C1CC(c2nc3n(n2)C(C2CCOC2)CCN3)C1.
What is the InChIKey of 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HIKHOZUIVIXXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-9(3-1)12-15-13-14-6-4-11(17(13)16-12)10-5-7-18-8-10/h9-11H,1-8H2,(H,14,15,16).
What are the key properties of 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 248.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).