2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid

C9H9N3O3 — CID 6625489

IUPAC2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(=O)c2cccn12
InChIInChI=1S/C9H9N3O3/c1-6-10-12(5-8(13)14)9(15)7-3-2-4-11(6)7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyRCEOIGJZNPHGRQ-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.11
Rot. Bonds2

About 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid

2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid (PubChem CID 6625489) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
PubChem CID6625489
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
SMILESCc1nn(CC(=O)O)c(=O)c2cccn12
InChIInChI=1S/C9H9N3O3/c1-6-10-12(5-8(13)14)9(15)7-3-2-4-11(6)7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyRCEOIGJZNPHGRQ-UHFFFAOYSA-N
XLogP-0.11
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
The IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid (CID 6625489) is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid is Cc1nn(CC(=O)O)c(=O)c2cccn12.
What is the InChIKey of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
The InChIKey is RCEOIGJZNPHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-6-10-12(5-8(13)14)9(15)7-3-2-4-11(6)7/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid?
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid has a molecular weight of 207.19 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid is sourced from PubChem (CID 6625489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).