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

C14H21N7 — CID 53618601

IUPAC2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine
SMILESCCC1=NN=C2N1CCN(C2)C3=NC(=CC(=N3)N(C)C)C
InChIInChI=1S/C14H21N7/c1-5-11-17-18-13-9-20(6-7-21(11)13)14-15-10(2)8-12(16-14)19(3)4/h8H,5-7,9H2,1-4H3
InChIKeyOAKDXAICYBRIPL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.10
Rot. Bonds3

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

2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine (PubChem CID 53618601) has the molecular formula C14H21N7 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine
PubChem CID53618601
Molecular FormulaC14H21N7
Molecular Weight287.36 g/mol
Exact Mass287.19
IUPAC Name2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine
SMILESCCC1=NN=C2N1CCN(C2)C3=NC(=CC(=N3)N(C)C)C
InChIInChI=1S/C14H21N7/c1-5-11-17-18-13-9-20(6-7-21(11)13)14-15-10(2)8-12(16-14)19(3)4/h8H,5-7,9H2,1-4H3
InChIKeyOAKDXAICYBRIPL-UHFFFAOYSA-N
XLogP1.10
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity350

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Trapidil
CID 5531
7-(4-Cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5308814
2,5-Dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5308906
Ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
CID 5309655
5-Methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 12366048
N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17986622
5-Methyl-7-(pyrrolidin-1-yl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4902029
3-Ethyl-2-[(3-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-2-yl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium
CID 2250779
N,N-diethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12366050
5-Methyl-7-(4-(2-methylallyl)piperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 42589501
2-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 56778051
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine
CID 56781607

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine (CID 53618601) is 2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine is CCC1=NN=C2N1CCN(C2)C3=NC(=CC(=N3)N(C)C)C.
What is the InChIKey of 2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine?
The InChIKey is OAKDXAICYBRIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-5-11-17-18-13-9-20(6-7-21(11)13)14-15-10(2)8-12(16-14)19(3)4/h8H,5-7,9H2,1-4H3.
What are the key properties of 2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine?
2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 53618601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).