1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol

C19H26N4O — CID 126790376

IUPAC1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol
SMILESCc1ccc(N2CCCN(CC(C)(O)c3ccccc3)CC2)nn1
InChIInChI=1S/C19H26N4O/c1-16-9-10-18(21-20-16)23-12-6-11-22(13-14-23)15-19(2,24)17-7-4-3-5-8-17/h3-5,7-10,24H,6,11-15H2,1-2H3
InChIKeyLAOGEYORLYYMMP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.20
Rot. Bonds4

About 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol

1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol (PubChem CID 126790376) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol
PubChem CID126790376
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol
SMILESCc1ccc(N2CCCN(CC(C)(O)c3ccccc3)CC2)nn1
InChIInChI=1S/C19H26N4O/c1-16-9-10-18(21-20-16)23-12-6-11-22(13-14-23)15-19(2,24)17-7-4-3-5-8-17/h3-5,7-10,24H,6,11-15H2,1-2H3
InChIKeyLAOGEYORLYYMMP-UHFFFAOYSA-N
XLogP2.20
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1,1,1-trifluoro-2-methyl-3-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-2-ol
CID 124874313
2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 55218602
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658
2-[3-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazole;hydroiodide
CID 126770961
1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 62931095
ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 145197934
1-[(3-methoxy-4-methylphenyl)methyl]-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 122139450
3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 110727422
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
5-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 71933012
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 97006519

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol (CID 126790376) is 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol is Cc1ccc(N2CCCN(CC(C)(O)c3ccccc3)CC2)nn1.
What is the InChIKey of 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol?
The InChIKey is LAOGEYORLYYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-16-9-10-18(21-20-16)23-12-6-11-22(13-14-23)15-19(2,24)17-7-4-3-5-8-17/h3-5,7-10,24H,6,11-15H2,1-2H3.
What are the key properties of 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol?
1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol has a molecular weight of 326.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 126790376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).