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

C14H17N5O — CID 137045944

IUPAC2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCNCC1
InChIInChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)
InChIKeySZKHGLTYXIDOFH-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.84
Rot. Bonds2

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

2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol (PubChem CID 137045944) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol
PubChem CID137045944
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCNCC1
InChIInChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)
InChIKeySZKHGLTYXIDOFH-UHFFFAOYSA-N
XLogP0.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Moxiraprine
CID 71258
Gne-064
CID 137029447
Sgc-smarca-brdviii
CID 137045929
2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
CID 154573640
1-[3-Azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
CID 154573641
US11208399, Example 4
CID 155284580
US11208399, Example 53
CID 155284733
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
US10308614, Example 45
CID 137029366
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol?
The IUPAC name of 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol (CID 137045944) is 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol.
What is the SMILES notation for 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol?
The canonical SMILES for 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol is Nc1nnc(-c2ccccc2O)cc1N1CCNCC1.
What is the InChIKey of 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol?
The InChIKey is SZKHGLTYXIDOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18).
What are the key properties of 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol?
2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol has a molecular weight of 271.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol is sourced from PubChem (CID 137045944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).