(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C15H21N5O — CID 95342541

IUPAC(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1cc(CN(C)[C@H]2CCCN(c3cccnn3)C2)no1
InChIInChI=1S/C15H21N5O/c1-12-9-13(18-21-12)10-19(2)14-5-4-8-20(11-14)15-6-3-7-16-17-15/h3,6-7,9,14H,4-5,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyYRVVFMLXHUSWFE-AWEZNQCLSA-N
MW287.37 g/mol
LogP1.87
Rot. Bonds4

About (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95342541) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95342541
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1cc(CN(C)[C@H]2CCCN(c3cccnn3)C2)no1
InChIInChI=1S/C15H21N5O/c1-12-9-13(18-21-12)10-19(2)14-5-4-8-20(11-14)15-6-3-7-16-17-15/h3,6-7,9,14H,4-5,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyYRVVFMLXHUSWFE-AWEZNQCLSA-N
XLogP1.87
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 95342541) is (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is Cc1cc(CN(C)[C@H]2CCCN(c3cccnn3)C2)no1.
What is the InChIKey of (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is YRVVFMLXHUSWFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-9-13(18-21-12)10-19(2)14-5-4-8-20(11-14)15-6-3-7-16-17-15/h3,6-7,9,14H,4-5,8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 287.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95342541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).