methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate

C11H17N5O2 — CID 10705894

IUPACmethyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(NC2CCNCC2)nc1N
InChIInChI=1S/C11H17N5O2/c1-18-11(17)9-10(12)16-8(6-14-9)15-7-2-4-13-5-3-7/h6-7,13H,2-5H2,1H3,(H3,12,15,16)
InChIKeyLAZLCWQOPWBMLM-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.01
Rot. Bonds3

About methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate

methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate (PubChem CID 10705894) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate
PubChem CID10705894
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Namemethyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(NC2CCNCC2)nc1N
InChIInChI=1S/C11H17N5O2/c1-18-11(17)9-10(12)16-8(6-14-9)15-7-2-4-13-5-3-7/h6-7,13H,2-5H2,1H3,(H3,12,15,16)
InChIKeyLAZLCWQOPWBMLM-UHFFFAOYSA-N
XLogP0.01
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate (CID 10705894) is methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate is COC(=O)c1ncc(NC2CCNCC2)nc1N.
What is the InChIKey of methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
The InChIKey is LAZLCWQOPWBMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-18-11(17)9-10(12)16-8(6-14-9)15-7-2-4-13-5-3-7/h6-7,13H,2-5H2,1H3,(H3,12,15,16).
What are the key properties of methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(piperidin-4-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 10705894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).