(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine

C9H12N6O — CID 137148836

IUPAC(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
SMILESCC(C)n1nc(/C=N/O)c2c(N)ncnc21
InChIInChI=1S/C9H12N6O/c1-5(2)15-9-7(6(14-15)3-13-16)8(10)11-4-12-9/h3-5,16H,1-2H3,(H2,10,11,12)/b13-3+
InChIKeyJAHRWOGKTCQYGO-QLKAYGNNSA-N
MW220.24 g/mol
LogP0.80
Rot. Bonds2

About (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine

(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine (PubChem CID 137148836) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
PubChem CID137148836
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
SMILESCC(C)n1nc(/C=N/O)c2c(N)ncnc21
InChIInChI=1S/C9H12N6O/c1-5(2)15-9-7(6(14-15)3-13-16)8(10)11-4-12-9/h3-5,16H,1-2H3,(H2,10,11,12)/b13-3+
InChIKeyJAHRWOGKTCQYGO-QLKAYGNNSA-N
XLogP0.80
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine (CID 137148836) is (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine is CC(C)n1nc(/C=N/O)c2c(N)ncnc21.
What is the InChIKey of (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine?
The InChIKey is JAHRWOGKTCQYGO-QLKAYGNNSA-N. The full InChI is InChI=1S/C9H12N6O/c1-5(2)15-9-7(6(14-15)3-13-16)8(10)11-4-12-9/h3-5,16H,1-2H3,(H2,10,11,12)/b13-3+.
What are the key properties of (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine?
(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine has a molecular weight of 220.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 137148836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).