2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol

C15H26N4O — CID 134595600

IUPAC2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol
SMILESCC(CO)N1CCN(c2ccc(C(C)(C)C)nn2)CC1
InChIInChI=1S/C15H26N4O/c1-12(11-20)18-7-9-19(10-8-18)14-6-5-13(16-17-14)15(2,3)4/h5-6,12,20H,7-11H2,1-4H3
InChIKeySDGMJRLMDRPMAQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.28
Rot. Bonds3

About 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol

2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol (PubChem CID 134595600) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol
PubChem CID134595600
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol
SMILESCC(CO)N1CCN(c2ccc(C(C)(C)C)nn2)CC1
InChIInChI=1S/C15H26N4O/c1-12(11-20)18-7-9-19(10-8-18)14-6-5-13(16-17-14)15(2,3)4/h5-6,12,20H,7-11H2,1-4H3
InChIKeySDGMJRLMDRPMAQ-UHFFFAOYSA-N
XLogP1.28
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol
CID 134406405
1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine
CID 139023230
2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol
CID 59343369
8-[6-[5-[5-[[4-(1-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,5-dimethylhexan-2-yl]pyridazin-3-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 134601120
(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol
CID 134595736
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 165434698
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
CID 171691198
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691567
1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 133419570
1-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603329

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol (CID 134595600) is 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol is CC(CO)N1CCN(c2ccc(C(C)(C)C)nn2)CC1.
What is the InChIKey of 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is SDGMJRLMDRPMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(11-20)18-7-9-19(10-8-18)14-6-5-13(16-17-14)15(2,3)4/h5-6,12,20H,7-11H2,1-4H3.
What are the key properties of 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol?
2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 134595600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).