2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid

C8H11N3O2 — CID 79002233

IUPAC2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2n1CCCC2
InChIInChI=1S/C8H11N3O2/c12-8(13)5-7-10-9-6-3-1-2-4-11(6)7/h1-5H2,(H,12,13)
InChIKeySBZJVMFAELJFTG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.24
Rot. Bonds2

About 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid (PubChem CID 79002233) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
PubChem CID79002233
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2n1CCCC2
InChIInChI=1S/C8H11N3O2/c12-8(13)5-7-10-9-6-3-1-2-4-11(6)7/h1-5H2,(H,12,13)
InChIKeySBZJVMFAELJFTG-UHFFFAOYSA-N
XLogP0.24
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 64577070
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CID 82407390
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CID 82408557
CID 82408557
CID 83964832
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CID 83964848
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CID 168026280
CID 168026280

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid (CID 79002233) is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid is O=C(O)Cc1nnc2n1CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
The InChIKey is SBZJVMFAELJFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(13)5-7-10-9-6-3-1-2-4-11(6)7/h1-5H2,(H,12,13).
What are the key properties of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 79002233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).