[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium

C15H17Cl2N4+ — CID 147973529

IUPAC[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium
SMILESCc1nc(N2CC(C)([NH3+])C2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N4/c1-9-14(10-4-3-5-11(16)13(10)17)19-6-12(20-9)21-7-15(2,18)8-21/h3-6H,7-8,18H2,1-2H3/p+1
InChIKeyIRVCRLBLFBOVDM-UHFFFAOYSA-O
MW324.24 g/mol
LogP2.58
Rot. Bonds2

About [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium

[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium (PubChem CID 147973529) has the molecular formula C15H17Cl2N4+ and a molecular weight of 324.24 g/mol. Its IUPAC name is [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium.

Molecular Properties

Compound Name[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium
PubChem CID147973529
Molecular FormulaC15H17Cl2N4+
Molecular Weight324.24 g/mol
Exact Mass323.08
IUPAC Name[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium
SMILESCc1nc(N2CC(C)([NH3+])C2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N4/c1-9-14(10-4-3-5-11(16)13(10)17)19-6-12(20-9)21-7-15(2,18)8-21/h3-6H,7-8,18H2,1-2H3/p+1
InChIKeyIRVCRLBLFBOVDM-UHFFFAOYSA-O
XLogP2.58
TPSA56.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium
CID 163821168
6-(4,9-diazadispiro[2.1.25.33]decan-9-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 163880923
5-(2,3-dichlorophenyl)-6-methylpyrazin-2-amine
CID 142143814
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine
CID 134182766
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
3-(2,3-dichlorophenyl)-6-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-amine;methane
CID 142543281
6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 138466405
(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 91824802
2-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-amine
CID 156701788
6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118249470

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium?
The IUPAC name of [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium (CID 147973529) is [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium.
What is the SMILES notation for [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium?
The canonical SMILES for [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium is Cc1nc(N2CC(C)([NH3+])C2)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium?
The InChIKey is IRVCRLBLFBOVDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16Cl2N4/c1-9-14(10-4-3-5-11(16)13(10)17)19-6-12(20-9)21-7-15(2,18)8-21/h3-6H,7-8,18H2,1-2H3/p+1.
What are the key properties of [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium?
[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium has a molecular weight of 324.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium is sourced from PubChem (CID 147973529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).