3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide

C5H10N6O — CID 1201368

IUPAC3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(NN)c1C(=O)NN
InChIInChI=1S/C5H10N6O/c1-2-3(5(12)9-7)4(8-6)11-10-2/h6-7H2,1H3,(H,9,12)(H2,8,10,11)
InChIKeySCTHDMVPWQBHDI-UHFFFAOYSA-N
MW170.18 g/mol
LogP-1.39
Rot. Bonds2

About 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide

3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide (PubChem CID 1201368) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide
PubChem CID1201368
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Name3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(NN)c1C(=O)NN
InChIInChI=1S/C5H10N6O/c1-2-3(5(12)9-7)4(8-6)11-10-2/h6-7H2,1H3,(H,9,12)(H2,8,10,11)
InChIKeySCTHDMVPWQBHDI-UHFFFAOYSA-N
XLogP-1.39
TPSA121.85 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 55
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 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide (CID 1201368) is 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide is Cc1[nH]nc(NN)c1C(=O)NN.
What is the InChIKey of 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide?
The InChIKey is SCTHDMVPWQBHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c1-2-3(5(12)9-7)4(8-6)11-10-2/h6-7H2,1H3,(H,9,12)(H2,8,10,11).
What are the key properties of 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide?
3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide has a molecular weight of 170.18 g/mol, XLogP of -1.39, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-methyl-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 1201368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).