2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid

C7H9N3O2 — CID 23008635

IUPAC2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2n1CCC2
InChIInChI=1S/C7H9N3O2/c11-7(12)4-6-9-8-5-2-1-3-10(5)6/h1-4H2,(H,11,12)
InChIKeyXHYACSDYSTXEMP-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.15
Rot. Bonds2

About 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid

2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid (PubChem CID 23008635) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid
PubChem CID23008635
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid
SMILESO=C(O)Cc1nnc2n1CCC2
InChIInChI=1S/C7H9N3O2/c11-7(12)4-6-9-8-5-2-1-3-10(5)6/h1-4H2,(H,11,12)
InChIKeyXHYACSDYSTXEMP-UHFFFAOYSA-N
XLogP-0.15
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazole-6-carboxylic acid hydrochloride
CID 138990977
3,7-dimethyl-5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazole-7-carboxylic acid hydrochloride
CID 139026663
6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxylic acid
CID 592621
6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-6-carboxylic acid
CID 83815373
2-(Dimethyl-4H-1,2,4-triazol-3-yl)-2-fluoroacetic acid
CID 127016730
3,7-dimethyl-5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylic acid
CID 139026664
3-[3-Methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-yl]propanoic acid
CID 168026280
3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylic acid
CID 57907485
3-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylic acid
CID 66839495
(7R)-3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-7-carboxylic acid
CID 68186946
2-(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetic acid
CID 61362595
2-(5-Methyl-4-propyl-1,2,4-triazol-3-yl)acetic acid
CID 61376273

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid (CID 23008635) is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid is O=C(O)Cc1nnc2n1CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid?
The InChIKey is XHYACSDYSTXEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-7(12)4-6-9-8-5-2-1-3-10(5)6/h1-4H2,(H,11,12).
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid?
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid has a molecular weight of 167.17 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid is sourced from PubChem (CID 23008635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).