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

C18H21N9 — CID 171327471

IUPACN-[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
SMILESCCc1nnc2c(N3CC(N(C)c4nccn5nc(C)cc45)C3)nccn12
InChIInChI=1S/C18H21N9/c1-4-15-21-22-18-17(20-5-7-26(15)18)25-10-13(11-25)24(3)16-14-9-12(2)23-27(14)8-6-19-16/h5-9,13H,4,10-11H2,1-3H3
InChIKeyKMRUTFVHXRIVFN-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.36
Rot. Bonds4

About 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

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 (PubChem CID 171327471) has the molecular formula C18H21N9 and a molecular weight of 363.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID171327471
Molecular FormulaC18H21N9
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC NameN-[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
SMILESCCc1nnc2c(N3CC(N(C)c4nccn5nc(C)cc45)C3)nccn12
InChIInChI=1S/C18H21N9/c1-4-15-21-22-18-17(20-5-7-26(15)18)25-10-13(11-25)24(3)16-14-9-12(2)23-27(14)8-6-19-16/h5-9,13H,4,10-11H2,1-3H3
InChIKeyKMRUTFVHXRIVFN-UHFFFAOYSA-N
XLogP1.36
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nnc2c(N3CC(N(C)c4nccn5nc(C)cc45)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,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is KMRUTFVHXRIVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9/c1-4-15-21-22-18-17(20-5-7-26(15)18)25-10-13(11-25)24(3)16-14-9-12(2)23-27(14)8-6-19-16/h5-9,13H,4,10-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 363.43 g/mol, XLogP of 1.36, 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,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 171327471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).