6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid

C12H17N3O3 — CID 66457647

IUPAC6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(CC1CCCO1)c1cncc(C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-2-15(8-9-4-3-5-18-9)11-7-13-6-10(14-11)12(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyQCQPWJVBJJQVDZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.18
Rot. Bonds5

About 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid

6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 66457647) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
PubChem CID66457647
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(CC1CCCO1)c1cncc(C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-2-15(8-9-4-3-5-18-9)11-7-13-6-10(14-11)12(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKeyQCQPWJVBJJQVDZ-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
4-[ethyl(oxolan-2-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052982
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
6-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyrazine-2-carboxylic acid
CID 66456063
3-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062367
2-[ethyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61434670
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
N-ethyl-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133309603
6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456851
4-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]benzoic acid
CID 61434621

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid (CID 66457647) is 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid is CCN(CC1CCCO1)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is QCQPWJVBJJQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-15(8-9-4-3-5-18-9)11-7-13-6-10(14-11)12(16)17/h6-7,9H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66457647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).