N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine

C12H16N4 — CID 62976152

IUPACN-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
SMILESCN1CCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C12H16N4/c1-16-5-4-11(8-16)14-10-2-3-12-9(6-10)7-13-15-12/h2-3,6-7,11,14H,4-5,8H2,1H3,(H,13,15)
InChIKeyNFOYLPRNTKINLW-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.68
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine

N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine (PubChem CID 62976152) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
PubChem CID62976152
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
SMILESCN1CCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C12H16N4/c1-16-5-4-11(8-16)14-10-2-3-12-9(6-10)7-13-15-12/h2-3,6-7,11,14H,4-5,8H2,1H3,(H,13,15)
InChIKeyNFOYLPRNTKINLW-UHFFFAOYSA-N
XLogP1.68
TPSA43.95 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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine (CID 62976152) is N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine is CN1CCC(Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine?
The InChIKey is NFOYLPRNTKINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-5-4-11(8-16)14-10-2-3-12-9(6-10)7-13-15-12/h2-3,6-7,11,14H,4-5,8H2,1H3,(H,13,15).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine?
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine has a molecular weight of 216.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine is sourced from PubChem (CID 62976152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).