6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine

C14H21N7 — CID 80826867

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCn3cnnc3C2)c1CC
InChIInChI=1S/C14H21N7/c1-3-5-15-13-11(4-2)14(17-9-16-13)20-6-7-21-10-18-19-12(21)8-20/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyGJILQLLEMRAOKF-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.47
Rot. Bonds5

About 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80826867) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
PubChem CID80826867
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCn3cnnc3C2)c1CC
InChIInChI=1S/C14H21N7/c1-3-5-15-13-11(4-2)14(17-9-16-13)20-6-7-21-10-18-19-12(21)8-20/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyGJILQLLEMRAOKF-UHFFFAOYSA-N
XLogP1.47
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine with MolForge

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Related Compounds

5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80796184
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433
5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine
CID 80833890
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80831098
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80825850
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 64580439
5-ethyl-6-(2-ethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80786757
5-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpyrimidin-2-amine
CID 80843997
5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyrimidine-5-carbaldehyde
CID 66367757
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603

Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine (CID 80826867) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCn3cnnc3C2)c1CC.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is GJILQLLEMRAOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-3-5-15-13-11(4-2)14(17-9-16-13)20-6-7-21-10-18-19-12(21)8-20/h9-10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80826867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).