(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

C12H19N5O — CID 120872870

IUPAC(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C12H19N5O/c1-9(13)12(18)17-7-4-10(5-8-17)15-11-3-2-6-14-16-11/h2-3,6,9-10H,4-5,7-8,13H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyCBJALFRUHNONHW-SECBINFHSA-N
MW249.32 g/mol
LogP0.23
Rot. Bonds3

About (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 120872870) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
PubChem CID120872870
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C12H19N5O/c1-9(13)12(18)17-7-4-10(5-8-17)15-11-3-2-6-14-16-11/h2-3,6,9-10H,4-5,7-8,13H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyCBJALFRUHNONHW-SECBINFHSA-N
XLogP0.23
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (CID 120872870) is (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is CBJALFRUHNONHW-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(13)12(18)17-7-4-10(5-8-17)15-11-3-2-6-14-16-11/h2-3,6,9-10H,4-5,7-8,13H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 249.32 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 120872870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).