1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid

C8H8N4O3 — CID 66984973

IUPAC1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid
SMILESO=C(O)c1ncncn1.Oc1cc[nH]c1
InChIInChI=1S/C4H3N3O2.C4H5NO/c8-4(9)3-6-1-5-2-7-3;6-4-1-2-5-3-4/h1-2H,(H,8,9);1-3,5-6H
InChIKeyJDVVZHGCNSTLTB-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.29
Rot. Bonds1

About 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid

1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid (PubChem CID 66984973) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid
PubChem CID66984973
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid
SMILESO=C(O)c1ncncn1.Oc1cc[nH]c1
InChIInChI=1S/C4H3N3O2.C4H5NO/c8-4(9)3-6-1-5-2-7-3;6-4-1-2-5-3-4/h1-2H,(H,8,9);1-3,5-6H
InChIKeyJDVVZHGCNSTLTB-UHFFFAOYSA-N
XLogP0.29
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid (CID 66984973) is 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid is O=C(O)c1ncncn1.Oc1cc[nH]c1.
What is the InChIKey of 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid?
The InChIKey is JDVVZHGCNSTLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O2.C4H5NO/c8-4(9)3-6-1-5-2-7-3;6-4-1-2-5-3-4/h1-2H,(H,8,9);1-3,5-6H.
What are the key properties of 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid?
1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid has a molecular weight of 208.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-3-ol;1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 66984973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).