N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine

C15H23N5 — CID 3068046

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine
SMILESCN1CCN(CCCNc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C15H23N5/c1-19-9-11-20(12-10-19)8-4-7-16-15-13-5-2-3-6-14(13)17-18-15/h2-3,5-6H,4,7-12H2,1H3,(H2,16,17,18)
InChIKeySKAMGHNAFBARFP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.61
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine

N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine (PubChem CID 3068046) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine
PubChem CID3068046
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine
SMILESCN1CCN(CCCNc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C15H23N5/c1-19-9-11-20(12-10-19)8-4-7-16-15-13-5-2-3-6-14(13)17-18-15/h2-3,5-6H,4,7-12H2,1H3,(H2,16,17,18)
InChIKeySKAMGHNAFBARFP-UHFFFAOYSA-N
XLogP1.61
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine (CID 3068046) is N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine is CN1CCN(CCCNc2n[nH]c3ccccc23)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine?
The InChIKey is SKAMGHNAFBARFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-19-9-11-20(12-10-19)8-4-7-16-15-13-5-2-3-6-14(13)17-18-15/h2-3,5-6H,4,7-12H2,1H3,(H2,16,17,18).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine?
N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine has a molecular weight of 273.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indazol-3-amine is sourced from PubChem (CID 3068046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).