6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine

C13H21ClN4 — CID 175538332

IUPAC6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCC1C(Nc2ccc(Cl)nn2)CCN(C)C1(C)C
InChIInChI=1S/C13H21ClN4/c1-9-10(7-8-18(4)13(9,2)3)15-12-6-5-11(14)16-17-12/h5-6,9-10H,7-8H2,1-4H3,(H,15,17)
InChIKeyUVEIJZSQAGZUMT-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.66
Rot. Bonds2

About 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine

6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 175538332) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID175538332
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCC1C(Nc2ccc(Cl)nn2)CCN(C)C1(C)C
InChIInChI=1S/C13H21ClN4/c1-9-10(7-8-18(4)13(9,2)3)15-12-6-5-11(14)16-17-12/h5-6,9-10H,7-8H2,1-4H3,(H,15,17)
InChIKeyUVEIJZSQAGZUMT-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 175538332) is 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine is CC1C(Nc2ccc(Cl)nn2)CCN(C)C1(C)C.
What is the InChIKey of 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is UVEIJZSQAGZUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9-10(7-8-18(4)13(9,2)3)15-12-6-5-11(14)16-17-12/h5-6,9-10H,7-8H2,1-4H3,(H,15,17).
What are the key properties of 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine?
6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,2,2,3-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 175538332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).