methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate

C16H17N3O2 — CID 66457314

IUPACmethyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCc3ccccc3C2)n1
InChIInChI=1S/C16H17N3O2/c1-21-16(20)14-9-17-10-15(19-14)18-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9-10,13H,6-8H2,1H3,(H,18,19)
InChIKeyTXXMCTUREIPIHC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.23
Rot. Bonds3

About methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate

methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate (PubChem CID 66457314) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
PubChem CID66457314
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Namemethyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCc3ccccc3C2)n1
InChIInChI=1S/C16H17N3O2/c1-21-16(20)14-9-17-10-15(19-14)18-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9-10,13H,6-8H2,1H3,(H,18,19)
InChIKeyTXXMCTUREIPIHC-UHFFFAOYSA-N
XLogP2.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate (CID 66457314) is methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCc3ccccc3C2)n1.
What is the InChIKey of methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate?
The InChIKey is TXXMCTUREIPIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-16(20)14-9-17-10-15(19-14)18-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9-10,13H,6-8H2,1H3,(H,18,19).
What are the key properties of methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate?
methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66457314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).