6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid

C12H15N5O2 — CID 112670129

IUPAC6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCCc1nn(C)cc1CNc1cncc(C(=O)O)n1
InChIInChI=1S/C12H15N5O2/c1-3-9-8(7-17(2)16-9)4-14-11-6-13-5-10(15-11)12(18)19/h5-7H,3-4H2,1-2H3,(H,14,15)(H,18,19)
InChIKeySYLFGGJRRVYORD-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.08
Rot. Bonds5

About 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid

6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 112670129) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID112670129
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCCc1nn(C)cc1CNc1cncc(C(=O)O)n1
InChIInChI=1S/C12H15N5O2/c1-3-9-8(7-17(2)16-9)4-14-11-6-13-5-10(15-11)12(18)19/h5-7H,3-4H2,1-2H3,(H,14,15)(H,18,19)
InChIKeySYLFGGJRRVYORD-UHFFFAOYSA-N
XLogP1.08
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 115991759
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyridazin-3-amine
CID 106549913
3-bromo-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 102823300
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 112672189
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 112672169
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzoic acid
CID 115991752
3-chloro-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 115991762
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid (CID 112670129) is 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid is CCc1nn(C)cc1CNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is SYLFGGJRRVYORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-9-8(7-17(2)16-9)4-14-11-6-13-5-10(15-11)12(18)19/h5-7H,3-4H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid?
6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 112670129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).