[1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol

C8H12N4O3 — CID 115761318

IUPAC[1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol
SMILESCn1cnc([N+](=O)[O-])c1NC1(CO)CC1
InChIInChI=1S/C8H12N4O3/c1-11-5-9-6(12(14)15)7(11)10-8(4-13)2-3-8/h5,10,13H,2-4H2,1H3
InChIKeyIUKNCHDNYLWYED-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.27
Rot. Bonds4

About [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol

[1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol (PubChem CID 115761318) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol
PubChem CID115761318
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name[1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol
SMILESCn1cnc([N+](=O)[O-])c1NC1(CO)CC1
InChIInChI=1S/C8H12N4O3/c1-11-5-9-6(12(14)15)7(11)10-8(4-13)2-3-8/h5,10,13H,2-4H2,1H3
InChIKeyIUKNCHDNYLWYED-UHFFFAOYSA-N
XLogP0.27
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol?
The IUPAC name of [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol (CID 115761318) is [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol?
The canonical SMILES for [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol is Cn1cnc([N+](=O)[O-])c1NC1(CO)CC1.
What is the InChIKey of [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol?
The InChIKey is IUKNCHDNYLWYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-11-5-9-6(12(14)15)7(11)10-8(4-13)2-3-8/h5,10,13H,2-4H2,1H3.
What are the key properties of [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol?
[1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol has a molecular weight of 212.21 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol is sourced from PubChem (CID 115761318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).