N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H17N5O — CID 115563757

IUPACN-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1(C)CC(Nc2nccn3cnnc23)CCO1
InChIInChI=1S/C12H17N5O/c1-12(2)7-9(3-6-18-12)15-10-11-16-14-8-17(11)5-4-13-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyWWFNTYOJGPXUHK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.49
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 115563757) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID115563757
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1(C)CC(Nc2nccn3cnnc23)CCO1
InChIInChI=1S/C12H17N5O/c1-12(2)7-9(3-6-18-12)15-10-11-16-14-8-17(11)5-4-13-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyWWFNTYOJGPXUHK-UHFFFAOYSA-N
XLogP1.49
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 167982444
N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245595
N-(2,2-dimethyloxan-4-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385751
N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245596
2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine
CID 83027817
N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113253017
N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
CID 79042204
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 100630745
N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 128976968
N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine
CID 114072659
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine
CID 106578747

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 115563757) is N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC1(C)CC(Nc2nccn3cnnc23)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is WWFNTYOJGPXUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-12(2)7-9(3-6-18-12)15-10-11-16-14-8-17(11)5-4-13-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 247.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 115563757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).