[4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine

C11H18N6O3 — CID 103408623

IUPAC[4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
SMILESCOCCOCCCOc1nc(NN)nc2[nH]ncc12
InChIInChI=1S/C11H18N6O3/c1-18-5-6-19-3-2-4-20-10-8-7-13-17-9(8)14-11(15-10)16-12/h7H,2-6,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyKRNPIZPYNJKHPO-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.07
Rot. Bonds9

About [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine

[4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine (PubChem CID 103408623) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine.

Molecular Properties

Compound Name[4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
PubChem CID103408623
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name[4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
SMILESCOCCOCCCOc1nc(NN)nc2[nH]ncc12
InChIInChI=1S/C11H18N6O3/c1-18-5-6-19-3-2-4-20-10-8-7-13-17-9(8)14-11(15-10)16-12/h7H,2-6,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyKRNPIZPYNJKHPO-UHFFFAOYSA-N
XLogP0.07
TPSA120.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 104568194
[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 103176581
[5-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-2-yl]hydrazine
CID 104568409
6-[2-(2-methoxyethoxy)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 67144956
[4-(2-methoxyethoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336076
[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336016
[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine
CID 103408611
4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 114158228
[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
CID 104708879
5,9-bis(2-methoxyethoxy)-3H-pyrazolo[5,4-c]isoquinoline
CID 123333746
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
[4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
CID 107662924

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
The IUPAC name of [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine (CID 103408623) is [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine.
What is the SMILES notation for [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
The canonical SMILES for [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine is COCCOCCCOc1nc(NN)nc2[nH]ncc12.
What is the InChIKey of [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
The InChIKey is KRNPIZPYNJKHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-18-5-6-19-3-2-4-20-10-8-7-13-17-9(8)14-11(15-10)16-12/h7H,2-6,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
[4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine has a molecular weight of 282.30 g/mol, XLogP of 0.07, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine is sourced from PubChem (CID 103408623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).