(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol

C14H17N3O — CID 112742140

IUPAC(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol
SMILESO[C@H](CCNCc1cccnn1)c1ccccc1
InChIInChI=1S/C14H17N3O/c18-14(12-5-2-1-3-6-12)8-10-15-11-13-7-4-9-16-17-13/h1-7,9,14-15,18H,8,10-11H2/t14-/m1/s1
InChIKeyPHMHPCWKNOMPDU-CQSZACIVSA-N
MW243.31 g/mol
LogP1.69
Rot. Bonds6

About (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol

(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol (PubChem CID 112742140) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol
PubChem CID112742140
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol
SMILESO[C@H](CCNCc1cccnn1)c1ccccc1
InChIInChI=1S/C14H17N3O/c18-14(12-5-2-1-3-6-12)8-10-15-11-13-7-4-9-16-17-13/h1-7,9,14-15,18H,8,10-11H2/t14-/m1/s1
InChIKeyPHMHPCWKNOMPDU-CQSZACIVSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(pyridazin-3-ylmethylamino)pentanoic acid
CID 106896706
1,1-diphenyl-N-(pyridazin-3-ylmethyl)methanamine
CID 106895014
4-phenyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895580
1-naphthalen-2-yl-2-(pyridazin-3-ylmethylamino)ethanol
CID 106895714
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
N-phenyl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895878
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411
1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea
CID 20557856
3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895342
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106896210
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol?
The IUPAC name of (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol (CID 112742140) is (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol.
What is the SMILES notation for (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol?
The canonical SMILES for (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol is O[C@H](CCNCc1cccnn1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol?
The InChIKey is PHMHPCWKNOMPDU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(12-5-2-1-3-6-12)8-10-15-11-13-7-4-9-16-17-13/h1-7,9,14-15,18H,8,10-11H2/t14-/m1/s1.
What are the key properties of (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol?
(1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-3-(pyridazin-3-ylmethylamino)propan-1-ol is sourced from PubChem (CID 112742140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).