6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine

C16H23N5 — CID 62283614

IUPAC6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine
SMILESCN(Cc1ccccn1)c1ccc(CNC(C)(C)C)nn1
InChIInChI=1S/C16H23N5/c1-16(2,3)18-11-13-8-9-15(20-19-13)21(4)12-14-7-5-6-10-17-14/h5-10,18H,11-12H2,1-4H3
InChIKeyFDEPOTSRSZHOAR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.40
Rot. Bonds5

About 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine

6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine (PubChem CID 62283614) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine
PubChem CID62283614
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine
SMILESCN(Cc1ccccn1)c1ccc(CNC(C)(C)C)nn1
InChIInChI=1S/C16H23N5/c1-16(2,3)18-11-13-8-9-15(20-19-13)21(4)12-14-7-5-6-10-17-14/h5-10,18H,11-12H2,1-4H3
InChIKeyFDEPOTSRSZHOAR-UHFFFAOYSA-N
XLogP2.40
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine (CID 62283614) is 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine is CN(Cc1ccccn1)c1ccc(CNC(C)(C)C)nn1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
The InChIKey is FDEPOTSRSZHOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(2,3)18-11-13-8-9-15(20-19-13)21(4)12-14-7-5-6-10-17-14/h5-10,18H,11-12H2,1-4H3.
What are the key properties of 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine?
6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 62283614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).