[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine

C12H16N4 — CID 83821652

IUPAC[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C12H16N4/c13-7-9-5-6-16(8-9)12-10-3-1-2-4-11(10)14-15-12/h1-4,9H,5-8,13H2,(H,14,15)
InChIKeyVSPZAUDXMKHTIJ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.35
Rot. Bonds2

About [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine

[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 83821652) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID83821652
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C12H16N4/c13-7-9-5-6-16(8-9)12-10-3-1-2-4-11(10)14-15-12/h1-4,9H,5-8,13H2,(H,14,15)
InChIKeyVSPZAUDXMKHTIJ-UHFFFAOYSA-N
XLogP1.35
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine (CID 83821652) is [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2n[nH]c3ccccc23)C1.
What is the InChIKey of [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is VSPZAUDXMKHTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-7-9-5-6-16(8-9)12-10-3-1-2-4-11(10)14-15-12/h1-4,9H,5-8,13H2,(H,14,15).
What are the key properties of [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine?
[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 83821652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).