2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C12H20N4 — CID 136840541

IUPAC2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1C(C)CNc2nc(C3CCC3)nn21
InChIInChI=1S/C12H20N4/c1-3-10-8(2)7-13-12-14-11(15-16(10)12)9-5-4-6-9/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyKYIZMZREXFNCCR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.56
Rot. Bonds2

About 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136840541) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136840541
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC1C(C)CNc2nc(C3CCC3)nn21
InChIInChI=1S/C12H20N4/c1-3-10-8(2)7-13-12-14-11(15-16(10)12)9-5-4-6-9/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyKYIZMZREXFNCCR-UHFFFAOYSA-N
XLogP2.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-ethyl-6-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839768
methyl 7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 136775729
4-cyclobutyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136840547
2-cyclobutyl-7-(2-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840548
2-cyclobutyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840545
7-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine
CID 136709987
2-cyclobutyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840532
4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine
CID 136837693
1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine
CID 83866094
5-bromo-2-cyclobutyl-7-ethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165473695
4-[7-(dimethoxymethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine
CID 136837694
7-(1-methylcyclopropyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839761

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136840541) is 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CCC1C(C)CNc2nc(C3CCC3)nn21.
What is the InChIKey of 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KYIZMZREXFNCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-10-8(2)7-13-12-14-11(15-16(10)12)9-5-4-6-9/h8-10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 220.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-ethyl-6-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).