4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide

C8H14N4O2 — CID 80582744

IUPAC4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide
SMILESCn1ccn(CCCC(=O)NN)c1=O
InChIInChI=1S/C8H14N4O2/c1-11-5-6-12(8(11)14)4-2-3-7(13)10-9/h5-6H,2-4,9H2,1H3,(H,10,13)
InChIKeyPBCPYDWQMCJCOC-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.04
Rot. Bonds4

About 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide

4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide (PubChem CID 80582744) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide
PubChem CID80582744
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide
SMILESCn1ccn(CCCC(=O)NN)c1=O
InChIInChI=1S/C8H14N4O2/c1-11-5-6-12(8(11)14)4-2-3-7(13)10-9/h5-6H,2-4,9H2,1H3,(H,10,13)
InChIKeyPBCPYDWQMCJCOC-UHFFFAOYSA-N
XLogP-1.04
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide?
The IUPAC name of 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide (CID 80582744) is 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide.
What is the SMILES notation for 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide?
The canonical SMILES for 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide is Cn1ccn(CCCC(=O)NN)c1=O.
What is the InChIKey of 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide?
The InChIKey is PBCPYDWQMCJCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-11-5-6-12(8(11)14)4-2-3-7(13)10-9/h5-6H,2-4,9H2,1H3,(H,10,13).
What are the key properties of 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide?
4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide has a molecular weight of 198.23 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-oxoimidazol-1-yl)butanehydrazide is sourced from PubChem (CID 80582744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).