(NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine

C14H23N3OS — CID 135514272

IUPAC(NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine
SMILESCCSC(C)CC1C/C(=N/O)c2c(CC)n[nH]c2C1
InChIInChI=1S/C14H23N3OS/c1-4-11-14-12(16-15-11)7-10(8-13(14)17-18)6-9(3)19-5-2/h9-10,18H,4-8H2,1-3H3,(H,15,16)/b17-13-
InChIKeyBSQKBUQYHPUISC-LGMDPLHJSA-N
MW281.42 g/mol
LogP3.24
Rot. Bonds5

About (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine

(NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine (PubChem CID 135514272) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine
PubChem CID135514272
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name(NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine
SMILESCCSC(C)CC1C/C(=N/O)c2c(CC)n[nH]c2C1
InChIInChI=1S/C14H23N3OS/c1-4-11-14-12(16-15-11)7-10(8-13(14)17-18)6-9(3)19-5-2/h9-10,18H,4-8H2,1-3H3,(H,15,16)/b17-13-
InChIKeyBSQKBUQYHPUISC-LGMDPLHJSA-N
XLogP3.24
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine (CID 135514272) is (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine is CCSC(C)CC1C/C(=N/O)c2c(CC)n[nH]c2C1.
What is the InChIKey of (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine?
The InChIKey is BSQKBUQYHPUISC-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-11-14-12(16-15-11)7-10(8-13(14)17-18)6-9(3)19-5-2/h9-10,18H,4-8H2,1-3H3,(H,15,16)/b17-13-.
What are the key properties of (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine?
(NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine has a molecular weight of 281.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-ethyl-6-(2-ethylsulfanylpropyl)-1,5,6,7-tetrahydroindazol-4-ylidene]hydroxylamine is sourced from PubChem (CID 135514272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).