4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

C12H19ClN6 — CID 79943695

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C12H19ClN6/c1-17(2)11-14-10(13)15-12(16-11)19-7-6-18-5-3-4-9(18)8-19/h9H,3-8H2,1-2H3
InChIKeyAMYBKOOLRXXRSJ-UHFFFAOYSA-N
MW282.78 g/mol
LogP0.88
Rot. Bonds2

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 79943695) has the molecular formula C12H19ClN6 and a molecular weight of 282.78 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID79943695
Molecular FormulaC12H19ClN6
Molecular Weight282.78 g/mol
Exact Mass282.14
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C12H19ClN6/c1-17(2)11-14-10(13)15-12(16-11)19-7-6-18-5-3-4-9(18)8-19/h9H,3-8H2,1-2H3
InChIKeyAMYBKOOLRXXRSJ-UHFFFAOYSA-N
XLogP0.88
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171122
4-chloro-N,N-dimethyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171342
4-hydrazinyl-N,N-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 80905094
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N,N-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3,5-triazin-2-amine
CID 81200217
2-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931341
4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 62967640
4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 62868516
4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65282191
2,4-dichloro-6-(4-cyclopropylpiperazin-1-yl)-1,3,5-triazine
CID 62869573
1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 62868838
4-chloro-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine
CID 80854716

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 79943695) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(N2CCN3CCCC3C2)n1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is AMYBKOOLRXXRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6/c1-17(2)11-14-10(13)15-12(16-11)19-7-6-18-5-3-4-9(18)8-19/h9H,3-8H2,1-2H3.
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 282.78 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79943695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).