ethane;3-(4-methylpiperazin-1-yl)-1H-indazole

C14H22N4 — CID 54533851

IUPACethane;3-(4-methylpiperazin-1-yl)-1H-indazole
SMILESCC.CN1CCN(c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C12H16N4.C2H6/c1-15-6-8-16(9-7-15)12-10-4-2-3-5-11(10)13-14-12;1-2/h2-5H,6-9H2,1H3,(H,13,14);1-2H3
InChIKeyYYKOUNKSVIXPTL-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.34
Rot. Bonds1

About ethane;3-(4-methylpiperazin-1-yl)-1H-indazole

ethane;3-(4-methylpiperazin-1-yl)-1H-indazole (PubChem CID 54533851) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is ethane;3-(4-methylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Nameethane;3-(4-methylpiperazin-1-yl)-1H-indazole
PubChem CID54533851
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Nameethane;3-(4-methylpiperazin-1-yl)-1H-indazole
SMILESCC.CN1CCN(c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C12H16N4.C2H6/c1-15-6-8-16(9-7-15)12-10-4-2-3-5-11(10)13-14-12;1-2/h2-5H,6-9H2,1H3,(H,13,14);1-2H3
InChIKeyYYKOUNKSVIXPTL-UHFFFAOYSA-N
XLogP2.34
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methylpiperazin-1-yl)-1H-indazole?
The IUPAC name of ethane;3-(4-methylpiperazin-1-yl)-1H-indazole (CID 54533851) is ethane;3-(4-methylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for ethane;3-(4-methylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for ethane;3-(4-methylpiperazin-1-yl)-1H-indazole is CC.CN1CCN(c2n[nH]c3ccccc23)CC1.
What is the InChIKey of ethane;3-(4-methylpiperazin-1-yl)-1H-indazole?
The InChIKey is YYKOUNKSVIXPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.C2H6/c1-15-6-8-16(9-7-15)12-10-4-2-3-5-11(10)13-14-12;1-2/h2-5H,6-9H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;3-(4-methylpiperazin-1-yl)-1H-indazole?
ethane;3-(4-methylpiperazin-1-yl)-1H-indazole has a molecular weight of 246.36 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 54533851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).