methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate

C12H19N3O3 — CID 114093867

IUPACmethyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC(CO)CC(C)C)cn1
InChIInChI=1S/C12H19N3O3/c1-8(2)4-9(7-16)15-11-6-13-10(5-14-11)12(17)18-3/h5-6,8-9,16H,4,7H2,1-3H3,(H,14,15)
InChIKeyPMAZLLOQGOXEOO-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.08
Rot. Bonds6

About methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate

methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate (PubChem CID 114093867) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
PubChem CID114093867
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC(CO)CC(C)C)cn1
InChIInChI=1S/C12H19N3O3/c1-8(2)4-9(7-16)15-11-6-13-10(5-14-11)12(17)18-3/h5-6,8-9,16H,4,7H2,1-3H3,(H,14,15)
InChIKeyPMAZLLOQGOXEOO-UHFFFAOYSA-N
XLogP1.08
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106190134
methyl 5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrazine-2-carboxylate
CID 114059751
methyl 5-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114059762
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447
methyl 5-(butylamino)pyrazine-2-carboxylate
CID 68565370
methyl 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 114059853
methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 114059816
methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate
CID 114059734
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
methyl 5-[(5-hydroxy-2,2-dimethylpentyl)amino]pyrazine-2-carboxylate
CID 106148777
methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate
CID 103772184
methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
CID 114186375

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate (CID 114093867) is methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate is COC(=O)c1cnc(NC(CO)CC(C)C)cn1.
What is the InChIKey of methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate?
The InChIKey is PMAZLLOQGOXEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)4-9(7-16)15-11-6-13-10(5-14-11)12(17)18-3/h5-6,8-9,16H,4,7H2,1-3H3,(H,14,15).
What are the key properties of methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate?
methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 114093867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).