ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate

C16H17N5O2 — CID 70444567

IUPACethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2ncc(C3C=CC=CC3)nc2c(N)n1
InChIInChI=1S/C16H17N5O2/c1-2-23-16(22)21-13-8-11-14(15(17)20-13)19-12(9-18-11)10-6-4-3-5-7-10/h3-6,8-10H,2,7H2,1H3,(H3,17,20,21,22)
InChIKeyYLBJPPCENATWJA-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.78
Rot. Bonds3

About ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate

ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate (PubChem CID 70444567) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate
PubChem CID70444567
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Nameethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCCOC(=O)Nc1cc2ncc(C3C=CC=CC3)nc2c(N)n1
InChIInChI=1S/C16H17N5O2/c1-2-23-16(22)21-13-8-11-14(15(17)20-13)19-12(9-18-11)10-6-4-3-5-7-10/h3-6,8-10H,2,7H2,1H3,(H3,17,20,21,22)
InChIKeyYLBJPPCENATWJA-UHFFFAOYSA-N
XLogP2.78
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate?
The IUPAC name of ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate (CID 70444567) is ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate.
What is the SMILES notation for ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate?
The canonical SMILES for ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate is CCOC(=O)Nc1cc2ncc(C3C=CC=CC3)nc2c(N)n1.
What is the InChIKey of ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate?
The InChIKey is YLBJPPCENATWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-2-23-16(22)21-13-8-11-14(15(17)20-13)19-12(9-18-11)10-6-4-3-5-7-10/h3-6,8-10H,2,7H2,1H3,(H3,17,20,21,22).
What are the key properties of ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate?
ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate has a molecular weight of 311.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-amino-3-cyclohexa-2,4-dien-1-ylpyrido[3,4-b]pyrazin-7-yl)carbamate is sourced from PubChem (CID 70444567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).