methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate

C12H18N4O2 — CID 66458156

IUPACmethyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate
SMILESCCCN(c1cncc(C(=O)OC)n1)C1CNC1
InChIInChI=1S/C12H18N4O2/c1-3-4-16(9-5-13-6-9)11-8-14-7-10(15-11)12(17)18-2/h7-9,13H,3-6H2,1-2H3
InChIKeyORWDHLQJLQWZDO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.45
Rot. Bonds5

About methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate

methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate (PubChem CID 66458156) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate
PubChem CID66458156
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate
SMILESCCCN(c1cncc(C(=O)OC)n1)C1CNC1
InChIInChI=1S/C12H18N4O2/c1-3-4-16(9-5-13-6-9)11-8-14-7-10(15-11)12(17)18-2/h7-9,13H,3-6H2,1-2H3
InChIKeyORWDHLQJLQWZDO-UHFFFAOYSA-N
XLogP0.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate
CID 79719385
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
CID 66456232
methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate
CID 102994007
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064
methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457
methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate
CID 66451088
methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
CID 79858166
methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
CID 66456426
N-(azetidin-3-yl)-6-methoxy-N-propylpyridin-2-amine
CID 66214329
methyl 6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazine-2-carboxylate
CID 66457424
N-(azetidin-3-yl)-4,6-dimethoxy-N-propyl-1,3,5-triazin-2-amine
CID 66213927

Frequently Asked Questions

What is the IUPAC name of methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate (CID 66458156) is methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate is CCCN(c1cncc(C(=O)OC)n1)C1CNC1.
What is the InChIKey of methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate?
The InChIKey is ORWDHLQJLQWZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-4-16(9-5-13-6-9)11-8-14-7-10(15-11)12(17)18-2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate?
methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66458156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).