2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C11H13N5O2 — CID 83064014

IUPAC2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCc1nccnc1NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C11H13N5O2/c1-7-10(13-4-3-12-7)15-9(11(17)18)8-5-14-16(2)6-8/h3-6,9H,1-2H3,(H,13,15)(H,17,18)
InChIKeyAHHNRBBISNZITR-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.76
Rot. Bonds4

About 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 83064014) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID83064014
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCc1nccnc1NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C11H13N5O2/c1-7-10(13-4-3-12-7)15-9(11(17)18)8-5-14-16(2)6-8/h3-6,9H,1-2H3,(H,13,15)(H,17,18)
InChIKeyAHHNRBBISNZITR-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 83064014) is 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is Cc1nccnc1NC(C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is AHHNRBBISNZITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-10(13-4-3-12-7)15-9(11(17)18)8-5-14-16(2)6-8/h3-6,9H,1-2H3,(H,13,15)(H,17,18).
What are the key properties of 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 247.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 83064014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).