N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide

C10H12N6 — CID 45276093

IUPACN'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide
SMILESN/C(=N\CCc1cnc[nH]1)c1cnccn1
InChIInChI=1S/C10H12N6/c11-10(9-6-12-3-4-14-9)15-2-1-8-5-13-7-16-8/h3-7H,1-2H2,(H2,11,15)(H,13,16)
InChIKeyYBRLAJHYURVVKQ-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.15
Rot. Bonds4

About N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide

N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide (PubChem CID 45276093) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide
PubChem CID45276093
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC NameN'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide
SMILESN/C(=N\CCc1cnc[nH]1)c1cnccn1
InChIInChI=1S/C10H12N6/c11-10(9-6-12-3-4-14-9)15-2-1-8-5-13-7-16-8/h3-7H,1-2H2,(H2,11,15)(H,13,16)
InChIKeyYBRLAJHYURVVKQ-UHFFFAOYSA-N
XLogP0.15
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Histamine
CID 774
Histamine Hydrochloride
CID 120160
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CID 912
2-Methylhistamine
CID 91613
2-{[2-(1H-Imidazol-4-yl)ethyl]amino}pyrazine
CID 10330136
Histamine monohydrobromide
CID 45259430
2-Methylhistamine dihydrochloride
CID 18536161
2-(2-Isopropyl-1H-imidazol-4-YL)ethylamine
CID 10034813
2-(2-(tert-Butyl)-1H-imidazol-4-yl)ethanamine
CID 21588904
2-(1H-Imidazol-5-yl)(~2~H_4_)ethan-1-amine
CID 45039382
N-(2-(1H-Imidazol-5-yl)ethyl)guanidine
CID 167717

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide?
The IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide (CID 45276093) is N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide is N/C(=N\CCc1cnc[nH]1)c1cnccn1.
What is the InChIKey of N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide?
The InChIKey is YBRLAJHYURVVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c11-10(9-6-12-3-4-14-9)15-2-1-8-5-13-7-16-8/h3-7H,1-2H2,(H2,11,15)(H,13,16).
What are the key properties of N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide?
N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide has a molecular weight of 216.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboximidamide is sourced from PubChem (CID 45276093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).