6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine

C15H24N6 — CID 107490120

IUPAC6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine
SMILESCN(C)CCN1CCN(c2cc3[nH]ncc3cc2N)CC1
InChIInChI=1S/C15H24N6/c1-19(2)3-4-20-5-7-21(8-6-20)15-10-14-12(9-13(15)16)11-17-18-14/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyPMUPEPFLELTKAM-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.83
Rot. Bonds4

About 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine

6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine (PubChem CID 107490120) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine
PubChem CID107490120
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine
SMILESCN(C)CCN1CCN(c2cc3[nH]ncc3cc2N)CC1
InChIInChI=1S/C15H24N6/c1-19(2)3-4-20-5-7-21(8-6-20)15-10-14-12(9-13(15)16)11-17-18-14/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyPMUPEPFLELTKAM-UHFFFAOYSA-N
XLogP0.83
TPSA64.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine?
The IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine (CID 107490120) is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine is CN(C)CCN1CCN(c2cc3[nH]ncc3cc2N)CC1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine?
The InChIKey is PMUPEPFLELTKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-19(2)3-4-20-5-7-21(8-6-20)15-10-14-12(9-13(15)16)11-17-18-14/h9-11H,3-8,16H2,1-2H3,(H,17,18).
What are the key properties of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine?
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine has a molecular weight of 288.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-indazol-5-amine is sourced from PubChem (CID 107490120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).