2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid

C8H7N5O2 — CID 39032840

IUPAC2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C8H7N5O2/c14-7(15)3-6-11-8(13-12-6)5-4-9-1-2-10-5/h1-2,4H,3H2,(H,14,15)(H,11,12,13)
InChIKeyBDTVHYSORIAENK-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.11
Rot. Bonds3

About 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid

2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid (PubChem CID 39032840) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
PubChem CID39032840
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C8H7N5O2/c14-7(15)3-6-11-8(13-12-6)5-4-9-1-2-10-5/h1-2,4H,3H2,(H,14,15)(H,11,12,13)
InChIKeyBDTVHYSORIAENK-UHFFFAOYSA-N
XLogP-0.11
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid?
The IUPAC name of 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid (CID 39032840) is 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid is O=C(O)Cc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid?
The InChIKey is BDTVHYSORIAENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c14-7(15)3-6-11-8(13-12-6)5-4-9-1-2-10-5/h1-2,4H,3H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid?
2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid has a molecular weight of 205.18 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetic acid is sourced from PubChem (CID 39032840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).