2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide

C9H16N4O — CID 79404599

IUPAC2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide
SMILESCc1nccn1C(C)C(C)C(=O)NN
InChIInChI=1S/C9H16N4O/c1-6(9(14)12-10)7(2)13-5-4-11-8(13)3/h4-7H,10H2,1-3H3,(H,12,14)
InChIKeyBPBAMNOWACSFNY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds3

About 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide

2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide (PubChem CID 79404599) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide
PubChem CID79404599
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide
SMILESCc1nccn1C(C)C(C)C(=O)NN
InChIInChI=1S/C9H16N4O/c1-6(9(14)12-10)7(2)13-5-4-11-8(13)3/h4-7H,10H2,1-3H3,(H,12,14)
InChIKeyBPBAMNOWACSFNY-UHFFFAOYSA-N
XLogP0.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
2-(ethylamino)-3-(2-methylimidazol-1-yl)butanamide
CID 165475254
N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide
CID 55239400
3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine
CID 62446670
N,2-dimethyl-3-(2-methylimidazol-1-yl)butan-1-amine
CID 79409202
methyl 2-(4-aminophenyl)-2-(2-methylimidazol-1-yl)acetate
CID 171801445
(3R)-3-(2-methylimidazol-1-yl)butanoate
CID 6940829
N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide
CID 16782472
4-(2-methylimidazol-1-yl)pentanoic acid
CID 62214885
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686
N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119069534
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126438614

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide?
The IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide (CID 79404599) is 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide.
What is the SMILES notation for 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide?
The canonical SMILES for 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide is Cc1nccn1C(C)C(C)C(=O)NN.
What is the InChIKey of 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide?
The InChIKey is BPBAMNOWACSFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(9(14)12-10)7(2)13-5-4-11-8(13)3/h4-7H,10H2,1-3H3,(H,12,14).
What are the key properties of 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide?
2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide has a molecular weight of 196.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylimidazol-1-yl)butanehydrazide is sourced from PubChem (CID 79404599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).