N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C17H18N8S — CID 171327526

IUPACN-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nnc2c(N3CC(N(C)c4ncnc5sccc45)C3)nccn12
InChIInChI=1S/C17H18N8S/c1-3-13-21-22-16-15(18-5-6-25(13)16)24-8-11(9-24)23(2)14-12-4-7-26-17(12)20-10-19-14/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyBKTAWNGHVBJUAC-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.02
Rot. Bonds4

About N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine

N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 171327526) has the molecular formula C17H18N8S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID171327526
Molecular FormulaC17H18N8S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC NameN-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nnc2c(N3CC(N(C)c4ncnc5sccc45)C3)nccn12
InChIInChI=1S/C17H18N8S/c1-3-13-21-22-16-15(18-5-6-25(13)16)24-8-11(9-24)23(2)14-12-4-7-26-17(12)20-10-19-14/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyBKTAWNGHVBJUAC-UHFFFAOYSA-N
XLogP2.02
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 171327471
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171327427
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
CID 171327390
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine
CID 171690824
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine
CID 172904272
N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine
CID 171327443
N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95329823
N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 44632567
6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine
CID 171327156
N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
CID 79653232
N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 107174233
3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide
CID 43140044

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 171327526) is N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1nnc2c(N3CC(N(C)c4ncnc5sccc45)C3)nccn12.
What is the InChIKey of N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BKTAWNGHVBJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8S/c1-3-13-21-22-16-15(18-5-6-25(13)16)24-8-11(9-24)23(2)14-12-4-7-26-17(12)20-10-19-14/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 366.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171327526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).