2-propan-2-yl-1H-imidazole-5-carbohydrazide

C7H12N4O — CID 3006278

IUPAC2-propan-2-yl-1H-imidazole-5-carbohydrazide
SMILESCC(C)c1ncc(C(=O)NN)[nH]1
InChIInChI=1S/C7H12N4O/c1-4(2)6-9-3-5(10-6)7(12)11-8/h3-4H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyXODAOGSOQRLBFR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.14
Rot. Bonds2

About 2-propan-2-yl-1H-imidazole-5-carbohydrazide

2-propan-2-yl-1H-imidazole-5-carbohydrazide (PubChem CID 3006278) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole-5-carbohydrazide.

Molecular Properties

Compound Name2-propan-2-yl-1H-imidazole-5-carbohydrazide
PubChem CID3006278
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-propan-2-yl-1H-imidazole-5-carbohydrazide
SMILESCC(C)c1ncc(C(=O)NN)[nH]1
InChIInChI=1S/C7H12N4O/c1-4(2)6-9-3-5(10-6)7(12)11-8/h3-4H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyXODAOGSOQRLBFR-UHFFFAOYSA-N
XLogP0.14
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.14
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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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-imidazole-5-carbohydrazide?
The IUPAC name of 2-propan-2-yl-1H-imidazole-5-carbohydrazide (CID 3006278) is 2-propan-2-yl-1H-imidazole-5-carbohydrazide.
What is the SMILES notation for 2-propan-2-yl-1H-imidazole-5-carbohydrazide?
The canonical SMILES for 2-propan-2-yl-1H-imidazole-5-carbohydrazide is CC(C)c1ncc(C(=O)NN)[nH]1.
What is the InChIKey of 2-propan-2-yl-1H-imidazole-5-carbohydrazide?
The InChIKey is XODAOGSOQRLBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4(2)6-9-3-5(10-6)7(12)11-8/h3-4H,8H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-propan-2-yl-1H-imidazole-5-carbohydrazide?
2-propan-2-yl-1H-imidazole-5-carbohydrazide has a molecular weight of 168.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-imidazole-5-carbohydrazide is sourced from PubChem (CID 3006278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).