2-tert-butyl-1H-imidazole-5-carbohydrazide

C8H14N4O — CID 3006276

IUPAC2-tert-butyl-1H-imidazole-5-carbohydrazide
SMILESCC(C)(C)c1ncc(C(=O)NN)[nH]1
InChIInChI=1S/C8H14N4O/c1-8(2,3)7-10-4-5(11-7)6(13)12-9/h4H,9H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyUPIFAEYHBJMRLZ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.31
Rot. Bonds1

About 2-tert-butyl-1H-imidazole-5-carbohydrazide

2-tert-butyl-1H-imidazole-5-carbohydrazide (PubChem CID 3006276) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole-5-carbohydrazide.

Molecular Properties

Compound Name2-tert-butyl-1H-imidazole-5-carbohydrazide
PubChem CID3006276
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-tert-butyl-1H-imidazole-5-carbohydrazide
SMILESCC(C)(C)c1ncc(C(=O)NN)[nH]1
InChIInChI=1S/C8H14N4O/c1-8(2,3)7-10-4-5(11-7)6(13)12-9/h4H,9H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyUPIFAEYHBJMRLZ-UHFFFAOYSA-N
XLogP0.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1H-imidazole-5-carboxamide
CID 152917
1H-imidazole-5-carbohydrazide
CID 225355
1-Methyl-1H-imidazole-5-carbohydrazide
CID 468661
2-cyclopropyl-1H-imidazole-4-carboxamide
CID 71755948
5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
CID 155201791
2-methyl-1H-imidazole-4-carboxamide
CID 14517188
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
5-N-[4-(diaminomethylideneamino)butyl]-2-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide
CID 168297962
2-(1H-imidazol-2-yl)-1H-imidazole-5-carboxamide
CID 44339733
N-(1-Methylethyl)-1H-imidazole-5-carboxamide
CID 18976076
N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride
CID 57401494
N-(diaminomethylidene)-1H-imidazole-5-carboxamide
CID 57401495

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole-5-carbohydrazide?
The IUPAC name of 2-tert-butyl-1H-imidazole-5-carbohydrazide (CID 3006276) is 2-tert-butyl-1H-imidazole-5-carbohydrazide.
What is the SMILES notation for 2-tert-butyl-1H-imidazole-5-carbohydrazide?
The canonical SMILES for 2-tert-butyl-1H-imidazole-5-carbohydrazide is CC(C)(C)c1ncc(C(=O)NN)[nH]1.
What is the InChIKey of 2-tert-butyl-1H-imidazole-5-carbohydrazide?
The InChIKey is UPIFAEYHBJMRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)7-10-4-5(11-7)6(13)12-9/h4H,9H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-tert-butyl-1H-imidazole-5-carbohydrazide?
2-tert-butyl-1H-imidazole-5-carbohydrazide has a molecular weight of 182.23 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-imidazole-5-carbohydrazide is sourced from PubChem (CID 3006276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).