2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol

C14H16N4O — CID 137029371

IUPAC2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCCC1
InChIInChI=1S/C14H16N4O/c15-14-12(18-7-3-4-8-18)9-11(16-17-14)10-5-1-2-6-13(10)19/h1-2,5-6,9,19H,3-4,7-8H2,(H2,15,17)
InChIKeyTWJZDPRYXHWSDF-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.03
Rot. Bonds2

About 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol

2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol (PubChem CID 137029371) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol
PubChem CID137029371
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCCC1
InChIInChI=1S/C14H16N4O/c15-14-12(18-7-3-4-8-18)9-11(16-17-14)10-5-1-2-6-13(10)19/h1-2,5-6,9,19H,3-4,7-8H2,(H2,15,17)
InChIKeyTWJZDPRYXHWSDF-UHFFFAOYSA-N
XLogP2.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol?
The IUPAC name of 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol (CID 137029371) is 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol.
What is the SMILES notation for 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol?
The canonical SMILES for 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol is Nc1nnc(-c2ccccc2O)cc1N1CCCC1.
What is the InChIKey of 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol?
The InChIKey is TWJZDPRYXHWSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14-12(18-7-3-4-8-18)9-11(16-17-14)10-5-1-2-6-13(10)19/h1-2,5-6,9,19H,3-4,7-8H2,(H2,15,17).
What are the key properties of 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol?
2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol has a molecular weight of 256.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-pyrrolidin-1-ylpyridazin-3-yl)phenol is sourced from PubChem (CID 137029371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).