[6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol

C13H23N3O — CID 102915160

IUPAC[6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol
SMILESCC(C)C(CNc1ccc(CO)nn1)C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)12(10(3)4)7-14-13-6-5-11(8-17)15-16-13/h5-6,9-10,12,17H,7-8H2,1-4H3,(H,14,16)
InChIKeyDUXRYTBUNNDRSW-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.31
Rot. Bonds6

About [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol

[6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol (PubChem CID 102915160) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol
PubChem CID102915160
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol
SMILESCC(C)C(CNc1ccc(CO)nn1)C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)12(10(3)4)7-14-13-6-5-11(8-17)15-16-13/h5-6,9-10,12,17H,7-8H2,1-4H3,(H,14,16)
InChIKeyDUXRYTBUNNDRSW-UHFFFAOYSA-N
XLogP2.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol (CID 102915160) is [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol is CC(C)C(CNc1ccc(CO)nn1)C(C)C.
What is the InChIKey of [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol?
The InChIKey is DUXRYTBUNNDRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)12(10(3)4)7-14-13-6-5-11(8-17)15-16-13/h5-6,9-10,12,17H,7-8H2,1-4H3,(H,14,16).
What are the key properties of [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol?
[6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-yl]methanol is sourced from PubChem (CID 102915160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).