3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C11H18N8O — CID 106280898

IUPAC3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(NN)nc2[nH]ncc12
InChIInChI=1S/C11H18N8O/c1-11(2,9(20)13-3)5-14-7-6-4-15-19-8(6)17-10(16-7)18-12/h4H,5,12H2,1-3H3,(H,13,20)(H3,14,15,16,17,18,19)
InChIKeyQNOFWOJUKRSRHB-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.18
Rot. Bonds5

About 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106280898) has the molecular formula C11H18N8O and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106280898
Molecular FormulaC11H18N8O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(NN)nc2[nH]ncc12
InChIInChI=1S/C11H18N8O/c1-11(2,9(20)13-3)5-14-7-6-4-15-19-8(6)17-10(16-7)18-12/h4H,5,12H2,1-3H3,(H,13,20)(H3,14,15,16,17,18,19)
InChIKeyQNOFWOJUKRSRHB-UHFFFAOYSA-N
XLogP-0.18
TPSA133.64 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 106280898) is 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc(NN)nc2[nH]ncc12.
What is the InChIKey of 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is QNOFWOJUKRSRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8O/c1-11(2,9(20)13-3)5-14-7-6-4-15-19-8(6)17-10(16-7)18-12/h4H,5,12H2,1-3H3,(H,13,20)(H3,14,15,16,17,18,19).
What are the key properties of 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 278.32 g/mol, XLogP of -0.18, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).