N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide

C10H14N6O — CID 35045555

IUPACN'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide
SMILESCCCC(=O)NNc1ncnc2c1cnn2C
InChIInChI=1S/C10H14N6O/c1-3-4-8(17)14-15-9-7-5-13-16(2)10(7)12-6-11-9/h5-6H,3-4H2,1-2H3,(H,14,17)(H,11,12,15)
InChIKeyGJZASSCFIMTSEO-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.61
Rot. Bonds4

About N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide

N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide (PubChem CID 35045555) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide.

Molecular Properties

Compound NameN'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide
PubChem CID35045555
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC NameN'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide
SMILESCCCC(=O)NNc1ncnc2c1cnn2C
InChIInChI=1S/C10H14N6O/c1-3-4-8(17)14-15-9-7-5-13-16(2)10(7)12-6-11-9/h5-6H,3-4H2,1-2H3,(H,14,17)(H,11,12,15)
InChIKeyGJZASSCFIMTSEO-UHFFFAOYSA-N
XLogP0.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinyl]-4-oxobutanoic acid
CID 2808998
N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-phenylpropanehydrazide
CID 29133372
N'-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]butanehydrazide
CID 18851852
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 693338
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 111118297
N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
CID 112730894
N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 62046967
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 81065375
1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312142
N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104675

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide?
The IUPAC name of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide (CID 35045555) is N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide.
What is the SMILES notation for N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide?
The canonical SMILES for N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide is CCCC(=O)NNc1ncnc2c1cnn2C.
What is the InChIKey of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide?
The InChIKey is GJZASSCFIMTSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-4-8(17)14-15-9-7-5-13-16(2)10(7)12-6-11-9/h5-6H,3-4H2,1-2H3,(H,14,17)(H,11,12,15).
What are the key properties of N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide?
N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide has a molecular weight of 234.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butanehydrazide is sourced from PubChem (CID 35045555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).