N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide

C11H21N5O2 — CID 88957853

IUPACN-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide
SMILESCC1=CN=C(C(=O)NCCN(C)CCN)C[NH+]1[O-]
InChIInChI=1S/C11H21N5O2/c1-9-7-14-10(8-16(9)18)11(17)13-4-6-15(2)5-3-12/h7,16H,3-6,8,12H2,1-2H3,(H,13,17)
InChIKeyGZMPYCMVJWVOPS-UHFFFAOYSA-N
MW255.32 g/mol
LogP-2.31
Rot. Bonds6

About N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide

N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide (PubChem CID 88957853) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide
PubChem CID88957853
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC NameN-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide
SMILESCC1=CN=C(C(=O)NCCN(C)CCN)C[NH+]1[O-]
InChIInChI=1S/C11H21N5O2/c1-9-7-14-10(8-16(9)18)11(17)13-4-6-15(2)5-3-12/h7,16H,3-6,8,12H2,1-2H3,(H,13,17)
InChIKeyGZMPYCMVJWVOPS-UHFFFAOYSA-N
XLogP-2.31
TPSA98.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide?
The IUPAC name of N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide (CID 88957853) is N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide.
What is the SMILES notation for N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide?
The canonical SMILES for N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide is CC1=CN=C(C(=O)NCCN(C)CCN)C[NH+]1[O-].
What is the InChIKey of N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide?
The InChIKey is GZMPYCMVJWVOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-9-7-14-10(8-16(9)18)11(17)13-4-6-15(2)5-3-12/h7,16H,3-6,8,12H2,1-2H3,(H,13,17).
What are the key properties of N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide?
N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl(methyl)amino]ethyl]-6-methyl-1-oxido-1,2-dihydropyrazin-1-ium-3-carboxamide is sourced from PubChem (CID 88957853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).