2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid

C11H13N5O2 — CID 122047288

IUPAC2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
SMILESCc1cc(C)n(-c2cncc(NCC(=O)O)n2)n1
InChIInChI=1S/C11H13N5O2/c1-7-3-8(2)16(15-7)10-5-12-4-9(14-10)13-6-11(17)18/h3-5H,6H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyUOCXUYWNOFSPMX-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.78
Rot. Bonds4

About 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid

2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid (PubChem CID 122047288) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
PubChem CID122047288
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
SMILESCc1cc(C)n(-c2cncc(NCC(=O)O)n2)n1
InChIInChI=1S/C11H13N5O2/c1-7-3-8(2)16(15-7)10-5-12-4-9(14-10)13-6-11(17)18/h3-5H,6H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyUOCXUYWNOFSPMX-UHFFFAOYSA-N
XLogP0.78
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide
CID 133284003
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 133283577
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone
CID 133284170
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazin-2-amine
CID 133366343
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 133273965
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221
2-(2-chlorophenyl)-1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-2-ol
CID 133472206
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine
CID 133296904

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid (CID 122047288) is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid is Cc1cc(C)n(-c2cncc(NCC(=O)O)n2)n1.
What is the InChIKey of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid?
The InChIKey is UOCXUYWNOFSPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-3-8(2)16(15-7)10-5-12-4-9(14-10)13-6-11(17)18/h3-5H,6H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid?
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid has a molecular weight of 247.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid is sourced from PubChem (CID 122047288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).