2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide

C8H12N4O — CID 83875431

IUPAC2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cncn1C1CC1)=N\O
InChIInChI=1S/C8H12N4O/c9-8(11-13)3-7-4-10-5-12(7)6-1-2-6/h4-6,13H,1-3H2,(H2,9,11)
InChIKeyQJCKNGIKRVNJDT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.51
Rot. Bonds3

About 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide

2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide (PubChem CID 83875431) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide
PubChem CID83875431
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cncn1C1CC1)=N\O
InChIInChI=1S/C8H12N4O/c9-8(11-13)3-7-4-10-5-12(7)6-1-2-6/h4-6,13H,1-3H2,(H2,9,11)
InChIKeyQJCKNGIKRVNJDT-UHFFFAOYSA-N
XLogP0.51
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.51
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'}, {'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 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide (CID 83875431) is 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide is N/C(Cc1cncn1C1CC1)=N\O.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide?
The InChIKey is QJCKNGIKRVNJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-8(11-13)3-7-4-10-5-12(7)6-1-2-6/h4-6,13H,1-3H2,(H2,9,11).
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide?
2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide has a molecular weight of 180.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 83875431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).