N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine

C10H16N4O2 — CID 103736751

IUPACN-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine
SMILESCCC1(CNc2c([N+](=O)[O-])ncn2C)CC1
InChIInChI=1S/C10H16N4O2/c1-3-10(4-5-10)6-11-8-9(14(15)16)12-7-13(8)2/h7,11H,3-6H2,1-2H3
InChIKeyDQMKDIQBICNAMT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.93
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine

N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine (PubChem CID 103736751) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine
PubChem CID103736751
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine
SMILESCCC1(CNc2c([N+](=O)[O-])ncn2C)CC1
InChIInChI=1S/C10H16N4O2/c1-3-10(4-5-10)6-11-8-9(14(15)16)12-7-13(8)2/h7,11H,3-6H2,1-2H3
InChIKeyDQMKDIQBICNAMT-UHFFFAOYSA-N
XLogP1.93
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-[(1-ethylcyclopropyl)methyl]-1-methyl-4-nitropyrazol-5-amine
CID 113346535
N-but-2-ynyl-3-methyl-5-nitroimidazol-4-amine
CID 115903968
[1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopropyl]methanol
CID 115761318
N-[2-(azepan-1-yl)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 32878153
N-butan-2-yl-3-methyl-5-nitroimidazol-4-amine
CID 43395607
3-methyl-N-(3-methylbut-2-enyl)-5-nitroimidazol-4-amine
CID 103525339
3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-nitroimidazol-4-amine
CID 103883656
N-[1-(aminomethyl)cyclopentyl]-3-methyl-5-nitroimidazol-4-amine
CID 63886836
N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine
CID 115591461
1-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclopentane-1-carboxylic acid
CID 61292165
N,2-dimethyl-N'-(3-methyl-5-nitroimidazol-4-yl)propane-1,3-diamine
CID 115303046
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitroimidazol-4-amine
CID 61012461

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine (CID 103736751) is N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine is CCC1(CNc2c([N+](=O)[O-])ncn2C)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine?
The InChIKey is DQMKDIQBICNAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-10(4-5-10)6-11-8-9(14(15)16)12-7-13(8)2/h7,11H,3-6H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine?
N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine has a molecular weight of 224.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine is sourced from PubChem (CID 103736751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).