N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine

C13H20N6O2S — CID 97390255

IUPACN,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine
SMILESCN(C)Cc1cn2c(n1)CN(S(=O)(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C13H20N6O2S/c1-16(2)6-11-7-18-4-5-19(8-12(18)15-11)22(20,21)13-9-17(3)10-14-13/h7,9-10H,4-6,8H2,1-3H3
InChIKeyBBGBJCJXBRXVNX-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.12
Rot. Bonds4

About N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine

N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine (PubChem CID 97390255) has the molecular formula C13H20N6O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine
PubChem CID97390255
Molecular FormulaC13H20N6O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC NameN,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine
SMILESCN(C)Cc1cn2c(n1)CN(S(=O)(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C13H20N6O2S/c1-16(2)6-11-7-18-4-5-19(8-12(18)15-11)22(20,21)13-9-17(3)10-14-13/h7,9-10H,4-6,8H2,1-3H3
InChIKeyBBGBJCJXBRXVNX-UHFFFAOYSA-N
XLogP-0.12
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine (CID 97390255) is N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine is CN(C)Cc1cn2c(n1)CN(S(=O)(=O)c1cn(C)cn1)CC2.
What is the InChIKey of N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine?
The InChIKey is BBGBJCJXBRXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S/c1-16(2)6-11-7-18-4-5-19(8-12(18)15-11)22(20,21)13-9-17(3)10-14-13/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine?
N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine has a molecular weight of 324.41 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[7-(1-methylimidazol-4-yl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine is sourced from PubChem (CID 97390255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).