ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate

C9H13N3O2 — CID 64592018

IUPACethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
SMILESCCOC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C9H13N3O2/c1-3-14-9(13)12-6-8-5-10-7(2)4-11-8/h4-5H,3,6H2,1-2H3,(H,12,13)
InChIKeyUDKJAEVLLMMICC-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.03
Rot. Bonds3

About ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate

ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate (PubChem CID 64592018) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
PubChem CID64592018
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
SMILESCCOC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C9H13N3O2/c1-3-14-9(13)12-6-8-5-10-7(2)4-11-8/h4-5H,3,6H2,1-2H3,(H,12,13)
InChIKeyUDKJAEVLLMMICC-UHFFFAOYSA-N
XLogP1.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 65173800
(5-methylpyrazin-2-yl)methylurea
CID 62845946
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64590585
ethyl N-(quinoxalin-2-ylmethyl)carbamate
CID 110869614
2-amino-N-[2-[(5-methylpyrazin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 62847599
2-amino-3-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 81088885
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
CID 81080396
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
2-[(2-methylpropan-2-yl)oxy]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 112605146
(2S,3S)-3-methyl-2-[(5-methylpyrazin-2-yl)methylcarbamoylamino]pentanoic acid
CID 62840347
2-(N'-hydroxycarbamimidoyl)-N-[(5-methylpyrazin-2-yl)methyl]butanamide
CID 76950601
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate (CID 64592018) is ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate is CCOC(=O)NCc1cnc(C)cn1.
What is the InChIKey of ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate?
The InChIKey is UDKJAEVLLMMICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-14-9(13)12-6-8-5-10-7(2)4-11-8/h4-5H,3,6H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate?
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate has a molecular weight of 195.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate is sourced from PubChem (CID 64592018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).