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

C9H15N5O2 — CID 103511885

IUPACN-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCC/C(N)=N/O
InChIInChI=1S/C9H15N5O2/c1-14-6-11-5-7(14)9(15)12-4-2-3-8(10)13-16/h5-6,16H,2-4H2,1H3,(H2,10,13)(H,12,15)
InChIKeyHJQVMPWSMBHOTD-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.32
Rot. Bonds5

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

N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide (PubChem CID 103511885) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
PubChem CID103511885
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCC/C(N)=N/O
InChIInChI=1S/C9H15N5O2/c1-14-6-11-5-7(14)9(15)12-4-2-3-8(10)13-16/h5-6,16H,2-4H2,1H3,(H2,10,13)(H,12,15)
InChIKeyHJQVMPWSMBHOTD-UHFFFAOYSA-N
XLogP-0.32
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.32
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'}

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Related Compounds

N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide
CID 103511904
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-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
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)-1,3,5-trimethylpyrazole-4-carboxamide
CID 76952772
N-(2-cyanoethyl)-3-methylimidazole-4-carboxamide
CID 103510931
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270
N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
CID 77112141

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide (CID 103511885) is N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCCC/C(N)=N/O.
What is the InChIKey of N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide?
The InChIKey is HJQVMPWSMBHOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14-6-11-5-7(14)9(15)12-4-2-3-8(10)13-16/h5-6,16H,2-4H2,1H3,(H2,10,13)(H,12,15).
What are the key properties of N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide?
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).