6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C6H8N6O — CID 135431257

IUPAC6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NN)nc21
InChIInChI=1S/C6H8N6O/c1-12-4-3(2-8-12)5(13)10-6(9-4)11-7/h2H,7H2,1H3,(H2,9,10,11,13)
InChIKeyHAFKXNVWQWJQFI-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.06
Rot. Bonds1

About 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135431257) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135431257
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NN)nc21
InChIInChI=1S/C6H8N6O/c1-12-4-3(2-8-12)5(13)10-6(9-4)11-7/h2H,7H2,1H3,(H2,9,10,11,13)
InChIKeyHAFKXNVWQWJQFI-UHFFFAOYSA-N
XLogP-1.06
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135431257) is 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(NN)nc21.
What is the InChIKey of 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HAFKXNVWQWJQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-12-4-3(2-8-12)5(13)10-6(9-4)11-7/h2H,7H2,1H3,(H2,9,10,11,13).
What are the key properties of 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 180.17 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135431257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).