4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine

C13H23N5O2 — CID 105231085

IUPAC4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
SMILESNNC(c1cn[nH]c1N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H23N5O2/c14-12-10(8-16-18-12)11(17-15)9-1-4-20-13(7-9)2-5-19-6-3-13/h8-9,11,17H,1-7,15H2,(H3,14,16,18)
InChIKeyLTYGPNIKTBRSIW-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.47
Rot. Bonds3

About 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine

4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine (PubChem CID 105231085) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
PubChem CID105231085
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
SMILESNNC(c1cn[nH]c1N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H23N5O2/c14-12-10(8-16-18-12)11(17-15)9-1-4-20-13(7-9)2-5-19-6-3-13/h8-9,11,17H,1-7,15H2,(H3,14,16,18)
InChIKeyLTYGPNIKTBRSIW-UHFFFAOYSA-N
XLogP0.47
TPSA111.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.47
H-Bond Donors ≤ 54
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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Related Compounds

[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279773
[(3-chloro-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323264
[1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261454
[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258737
4-[cyclopentyl(hydrazinyl)methyl]-1H-pyrazol-5-amine
CID 105231072
[(4-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193249
4-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]-1-methylpyrazol-5-amine
CID 105230964
[(5-bromofuran-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323283
[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107970487
[(3-chlorothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323229
[5-oxaspiro[3.5]nonan-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230654
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620

Frequently Asked Questions

What is the IUPAC name of 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine (CID 105231085) is 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine is NNC(c1cn[nH]c1N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine?
The InChIKey is LTYGPNIKTBRSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c14-12-10(8-16-18-12)11(17-15)9-1-4-20-13(7-9)2-5-19-6-3-13/h8-9,11,17H,1-7,15H2,(H3,14,16,18).
What are the key properties of 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine?
4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 105231085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).