N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide

C11H14N6 — CID 45276252

IUPACN'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide
SMILESN/C(=N\CCCn1ccnc1)c1cnccn1
InChIInChI=1S/C11H14N6/c12-11(10-8-13-3-4-15-10)16-2-1-6-17-7-5-14-9-17/h3-5,7-9H,1-2,6H2,(H2,12,16)
InChIKeyDQEQVTUDUJGDGZ-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.47
Rot. Bonds5

About N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide

N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide (PubChem CID 45276252) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide
PubChem CID45276252
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC NameN'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide
SMILESN/C(=N\CCCn1ccnc1)c1cnccn1
InChIInChI=1S/C11H14N6/c12-11(10-8-13-3-4-15-10)16-2-1-6-17-7-5-14-9-17/h3-5,7-9H,1-2,6H2,(H2,12,16)
InChIKeyDQEQVTUDUJGDGZ-UHFFFAOYSA-N
XLogP0.47
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide?
The IUPAC name of N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide (CID 45276252) is N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide?
The canonical SMILES for N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide is N/C(=N\CCCn1ccnc1)c1cnccn1.
What is the InChIKey of N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide?
The InChIKey is DQEQVTUDUJGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c12-11(10-8-13-3-4-15-10)16-2-1-6-17-7-5-14-9-17/h3-5,7-9H,1-2,6H2,(H2,12,16).
What are the key properties of N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide?
N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide has a molecular weight of 230.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide is sourced from PubChem (CID 45276252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).