N'-amino-3-ethylimidazole-4-carboximidamide

C6H11N5 — CID 66135665

IUPACN'-amino-3-ethylimidazole-4-carboximidamide
SMILESCCn1cncc1/C(N)=N/N
InChIInChI=1S/C6H11N5/c1-2-11-4-9-3-5(11)6(7)10-8/h3-4H,2,8H2,1H3,(H2,7,10)
InChIKeyUALPYVDIBUTIKX-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.52
Rot. Bonds2

About N'-amino-3-ethylimidazole-4-carboximidamide

N'-amino-3-ethylimidazole-4-carboximidamide (PubChem CID 66135665) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is N'-amino-3-ethylimidazole-4-carboximidamide.

Molecular Properties

Compound NameN'-amino-3-ethylimidazole-4-carboximidamide
PubChem CID66135665
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC NameN'-amino-3-ethylimidazole-4-carboximidamide
SMILESCCn1cncc1/C(N)=N/N
InChIInChI=1S/C6H11N5/c1-2-11-4-9-3-5(11)6(7)10-8/h3-4H,2,8H2,1H3,(H2,7,10)
InChIKeyUALPYVDIBUTIKX-UHFFFAOYSA-N
XLogP-0.52
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-amino-3-ethylimidazole-4-carboximidamide?
The IUPAC name of N'-amino-3-ethylimidazole-4-carboximidamide (CID 66135665) is N'-amino-3-ethylimidazole-4-carboximidamide.
What is the SMILES notation for N'-amino-3-ethylimidazole-4-carboximidamide?
The canonical SMILES for N'-amino-3-ethylimidazole-4-carboximidamide is CCn1cncc1/C(N)=N/N.
What is the InChIKey of N'-amino-3-ethylimidazole-4-carboximidamide?
The InChIKey is UALPYVDIBUTIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-2-11-4-9-3-5(11)6(7)10-8/h3-4H,2,8H2,1H3,(H2,7,10).
What are the key properties of N'-amino-3-ethylimidazole-4-carboximidamide?
N'-amino-3-ethylimidazole-4-carboximidamide has a molecular weight of 153.19 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-ethylimidazole-4-carboximidamide is sourced from PubChem (CID 66135665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).