(1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine

C10H16N6 — CID 165449025

IUPAC(1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
SMILESCCC(CC)n1ncc2c(NN)ncnc21
InChIInChI=1S/C10H16N6/c1-3-7(4-2)16-10-8(5-14-16)9(15-11)12-6-13-10/h5-7H,3-4,11H2,1-2H3,(H,12,13,15)
InChIKeyMFQMSCWDBKEMJX-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.47
Rot. Bonds4

About (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine

(1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine (PubChem CID 165449025) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
PubChem CID165449025
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name(1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
SMILESCCC(CC)n1ncc2c(NN)ncnc21
InChIInChI=1S/C10H16N6/c1-3-7(4-2)16-10-8(5-14-16)9(15-11)12-6-13-10/h5-7H,3-4,11H2,1-2H3,(H,12,13,15)
InChIKeyMFQMSCWDBKEMJX-UHFFFAOYSA-N
XLogP1.47
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
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 (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine?
The IUPAC name of (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine (CID 165449025) is (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine.
What is the SMILES notation for (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine?
The canonical SMILES for (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine is CCC(CC)n1ncc2c(NN)ncnc21.
What is the InChIKey of (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine?
The InChIKey is MFQMSCWDBKEMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-7(4-2)16-10-8(5-14-16)9(15-11)12-6-13-10/h5-7H,3-4,11H2,1-2H3,(H,12,13,15).
What are the key properties of (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine?
(1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine has a molecular weight of 220.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine is sourced from PubChem (CID 165449025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).