3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol

C15H14ClN5O — CID 23256697

IUPAC3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol
SMILESOCCCNc1nnc(Cl)c2nc(-c3ccccc3)ncc12
InChIInChI=1S/C15H14ClN5O/c16-13-12-11(15(21-20-13)17-7-4-8-22)9-18-14(19-12)10-5-2-1-3-6-10/h1-3,5-6,9,22H,4,7-8H2,(H,17,21)
InChIKeyQVFPIUDUSAWWNZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.53
Rot. Bonds5

About 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol

3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol (PubChem CID 23256697) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol
PubChem CID23256697
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol
SMILESOCCCNc1nnc(Cl)c2nc(-c3ccccc3)ncc12
InChIInChI=1S/C15H14ClN5O/c16-13-12-11(15(21-20-13)17-7-4-8-22)9-18-14(19-12)10-5-2-1-3-6-10/h1-3,5-6,9,22H,4,7-8H2,(H,17,21)
InChIKeyQVFPIUDUSAWWNZ-UHFFFAOYSA-N
XLogP2.53
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol
CID 21491344
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
N'-(4-chlorobenzo[g]phthalazin-1-yl)-N-[3-[(4-chlorobenzo[g]phthalazin-1-yl)amino]propyl]propane-1,3-diamine
CID 10053429
4-[(4-chlorophthalazin-1-yl)amino]butanamide
CID 62141912
4,5-dichloro-2-phenylpyrimidine
CID 59762779
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 2024503
3-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 9280455
5-iodo-2-phenyl-N-propylpyrimidin-4-amine
CID 66303336
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
5-[(3-chloroisoquinolin-1-yl)amino]pentan-1-ol
CID 82569848

Frequently Asked Questions

What is the IUPAC name of 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol (CID 23256697) is 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol is OCCCNc1nnc(Cl)c2nc(-c3ccccc3)ncc12.
What is the InChIKey of 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol?
The InChIKey is QVFPIUDUSAWWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-13-12-11(15(21-20-13)17-7-4-8-22)9-18-14(19-12)10-5-2-1-3-6-10/h1-3,5-6,9,22H,4,7-8H2,(H,17,21).
What are the key properties of 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol?
3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol has a molecular weight of 315.76 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-chloro-2-phenylpyrimido[4,5-d]pyridazin-5-yl)amino]propan-1-ol is sourced from PubChem (CID 23256697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).