N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide

C10H17N5O2 — CID 103511904

IUPACN-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCCC/C(N)=N/O
InChIInChI=1S/C10H17N5O2/c1-15-7-12-6-8(15)10(16)13-5-3-2-4-9(11)14-17/h6-7,17H,2-5H2,1H3,(H2,11,14)(H,13,16)
InChIKeyPIEDJSQURBFGOA-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.07
Rot. Bonds6

About N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide

N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide (PubChem CID 103511904) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide
PubChem CID103511904
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCCC/C(N)=N/O
InChIInChI=1S/C10H17N5O2/c1-15-7-12-6-8(15)10(16)13-5-3-2-4-9(11)14-17/h6-7,17H,2-5H2,1H3,(H2,11,14)(H,13,16)
InChIKeyPIEDJSQURBFGOA-UHFFFAOYSA-N
XLogP0.07
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide 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

N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
CID 103511885
6-[(3-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 103510365
N-(3-chloropropyl)-3-methylimidazole-4-carboxamide
CID 103511152
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide
CID 106305682
N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide
CID 103511511
N-(5-chloro-4-methylpentyl)-3-methylimidazole-4-carboxamide
CID 106156832
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
N-(2-cyanoethyl)-3-methylimidazole-4-carboxamide
CID 103510931
N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
CID 77112141
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide (CID 103511904) is N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCCCC/C(N)=N/O.
What is the InChIKey of N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide?
The InChIKey is PIEDJSQURBFGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15-7-12-6-8(15)10(16)13-5-3-2-4-9(11)14-17/h6-7,17H,2-5H2,1H3,(H2,11,14)(H,13,16).
What are the key properties of N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide?
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).