N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol

C13H25N3O — CID 158426515

IUPACN-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol
SMILESCC(C)NC(C)C.CC(O)Cc1cccnn1
InChIInChI=1S/C7H10N2O.C6H15N/c1-6(10)5-7-3-2-4-8-9-7;1-5(2)7-6(3)4/h2-4,6,10H,5H2,1H3;5-7H,1-4H3
InChIKeyHBCQHYHZWBAMJU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds4

About N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol

N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol (PubChem CID 158426515) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol.

Molecular Properties

Compound NameN-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol
PubChem CID158426515
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol
SMILESCC(C)NC(C)C.CC(O)Cc1cccnn1
InChIInChI=1S/C7H10N2O.C6H15N/c1-6(10)5-7-3-2-4-8-9-7;1-5(2)7-6(3)4/h2-4,6,10H,5H2,1H3;5-7H,1-4H3
InChIKeyHBCQHYHZWBAMJU-UHFFFAOYSA-N
XLogP1.79
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol?
The IUPAC name of N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol (CID 158426515) is N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol.
What is the SMILES notation for N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol?
The canonical SMILES for N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol is CC(C)NC(C)C.CC(O)Cc1cccnn1.
What is the InChIKey of N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol?
The InChIKey is HBCQHYHZWBAMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C6H15N/c1-6(10)5-7-3-2-4-8-9-7;1-5(2)7-6(3)4/h2-4,6,10H,5H2,1H3;5-7H,1-4H3.
What are the key properties of N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol?
N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpropan-2-amine;1-pyridazin-3-ylpropan-2-ol is sourced from PubChem (CID 158426515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).