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

C12H20N4O — CID 136839768

IUPAC7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1C(C)CNc2nc(C3CCOC3)nn21
InChIInChI=1S/C12H20N4O/c1-3-10-8(2)6-13-12-14-11(15-16(10)12)9-4-5-17-7-9/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyTTZICIBJXXHPBE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.79
Rot. Bonds2

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

7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136839768) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136839768
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1C(C)CNc2nc(C3CCOC3)nn21
InChIInChI=1S/C12H20N4O/c1-3-10-8(2)6-13-12-14-11(15-16(10)12)9-4-5-17-7-9/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyTTZICIBJXXHPBE-UHFFFAOYSA-N
XLogP1.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840541
7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839761
methyl 7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 136775729
6-(4-methylphenyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839778
2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839760
7-ethyl-6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137012085
2-(3-chlorophenyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839679
2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840545
8-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157615
2-(2-bicyclo[2.2.1]heptanyl)-7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841144
2-[4-[[2-ethyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]pyrimidine
CID 74236088
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136839768) is 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CCC1C(C)CNc2nc(C3CCOC3)nn21.
What is the InChIKey of 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is TTZICIBJXXHPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-8(2)6-13-12-14-11(15-16(10)12)9-4-5-17-7-9/h8-10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 236.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).