1H-pyrrole-2,3,4-tricarboxamide

C7H8N4O3 — CID 54151063

IUPAC1H-pyrrole-2,3,4-tricarboxamide
SMILESNC(=O)c1c[nH]c(C(N)=O)c1C(N)=O
InChIInChI=1S/C7H8N4O3/c8-5(12)2-1-11-4(7(10)14)3(2)6(9)13/h1,11H,(H2,8,12)(H2,9,13)(H2,10,14)
InChIKeyOHTVJLOSESMKCF-UHFFFAOYSA-N
MW196.17 g/mol
LogP-1.69
Rot. Bonds3

About 1H-pyrrole-2,3,4-tricarboxamide

1H-pyrrole-2,3,4-tricarboxamide (PubChem CID 54151063) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 1H-pyrrole-2,3,4-tricarboxamide.

Molecular Properties

Compound Name1H-pyrrole-2,3,4-tricarboxamide
PubChem CID54151063
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name1H-pyrrole-2,3,4-tricarboxamide
SMILESNC(=O)c1c[nH]c(C(N)=O)c1C(N)=O
InChIInChI=1S/C7H8N4O3/c8-5(12)2-1-11-4(7(10)14)3(2)6(9)13/h1,11H,(H2,8,12)(H2,9,13)(H2,10,14)
InChIKeyOHTVJLOSESMKCF-UHFFFAOYSA-N
XLogP-1.69
TPSA145.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-2,3,4-tricarboxamide?
The IUPAC name of 1H-pyrrole-2,3,4-tricarboxamide (CID 54151063) is 1H-pyrrole-2,3,4-tricarboxamide.
What is the SMILES notation for 1H-pyrrole-2,3,4-tricarboxamide?
The canonical SMILES for 1H-pyrrole-2,3,4-tricarboxamide is NC(=O)c1c[nH]c(C(N)=O)c1C(N)=O.
What is the InChIKey of 1H-pyrrole-2,3,4-tricarboxamide?
The InChIKey is OHTVJLOSESMKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c8-5(12)2-1-11-4(7(10)14)3(2)6(9)13/h1,11H,(H2,8,12)(H2,9,13)(H2,10,14).
What are the key properties of 1H-pyrrole-2,3,4-tricarboxamide?
1H-pyrrole-2,3,4-tricarboxamide has a molecular weight of 196.17 g/mol, XLogP of -1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-2,3,4-tricarboxamide is sourced from PubChem (CID 54151063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).