N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide

C10H9N7O — CID 136990354

IUPACN'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1-c1nccn2cnnc12
InChIInChI=1S/C10H9N7O/c11-8(15-18)7-2-1-4-17(7)9-10-14-13-6-16(10)5-3-12-9/h1-6,18H,(H2,11,15)
InChIKeyDCHWPGLZFMEUBK-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.01
Rot. Bonds2

About N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide

N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide (PubChem CID 136990354) has the molecular formula C10H9N7O and a molecular weight of 243.23 g/mol. Its IUPAC name is N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide
PubChem CID136990354
Molecular FormulaC10H9N7O
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC NameN'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide
SMILESN/C(=N/O)c1cccn1-c1nccn2cnnc12
InChIInChI=1S/C10H9N7O/c11-8(15-18)7-2-1-4-17(7)9-10-14-13-6-16(10)5-3-12-9/h1-6,18H,(H2,11,15)
InChIKeyDCHWPGLZFMEUBK-UHFFFAOYSA-N
XLogP0.01
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide (CID 136990354) is N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide is N/C(=N/O)c1cccn1-c1nccn2cnnc12.
What is the InChIKey of N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide?
The InChIKey is DCHWPGLZFMEUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O/c11-8(15-18)7-2-1-4-17(7)9-10-14-13-6-16(10)5-3-12-9/h1-6,18H,(H2,11,15).
What are the key properties of N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide?
N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide has a molecular weight of 243.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrole-2-carboximidamide is sourced from PubChem (CID 136990354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).