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

C14H16N4O — CID 137045888

IUPAC2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1C1CCNC1
InChIInChI=1S/C14H16N4O/c15-14-11(9-5-6-16-8-9)7-12(17-18-14)10-3-1-2-4-13(10)19/h1-4,7,9,16,19H,5-6,8H2,(H2,15,18)
InChIKeyZEOGDHRRXPLZIK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.51
Rot. Bonds2

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

2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol (PubChem CID 137045888) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol
PubChem CID137045888
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1C1CCNC1
InChIInChI=1S/C14H16N4O/c15-14-11(9-5-6-16-8-9)7-12(17-18-14)10-3-1-2-4-13(10)19/h1-4,7,9,16,19H,5-6,8H2,(H2,15,18)
InChIKeyZEOGDHRRXPLZIK-UHFFFAOYSA-N
XLogP1.51
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
2-(6-Amino-5-(pyrrolidin-
CID 137029371
Smarca2/4-IN-2
CID 136145607
2-[6-(2-Diethylamino-2-methyl-propylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 135795216
2-(6-Amino-5-phenyl-pyridazin-3-yl)-4-fluoro-phenol
CID 137029413
US10308614, Example 231
CID 137029431
US10308614, Example 232
CID 137029433
2-(6-Amino-5-phenylpyridazin-3-yl)-3-fluorophenol
CID 137045915
2-(6-Amino-5-phenylpyridazin-3-yl)-6-fluorophenol
CID 137045957
US11208399, Example 14
CID 155284551
5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 164544826

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol?
The IUPAC name of 2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol (CID 137045888) is 2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol.
What is the SMILES notation for 2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol?
The canonical SMILES for 2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol is Nc1nnc(-c2ccccc2O)cc1C1CCNC1.
What is the InChIKey of 2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol?
The InChIKey is ZEOGDHRRXPLZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14-11(9-5-6-16-8-9)7-12(17-18-14)10-3-1-2-4-13(10)19/h1-4,7,9,16,19H,5-6,8H2,(H2,15,18).
What are the key properties of 2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol?
2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol has a molecular weight of 256.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-pyrrolidin-3-ylpyridazin-3-yl)phenol is sourced from PubChem (CID 137045888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).