3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

C16H27N5 — CID 62089530

IUPAC3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCC(C(C)(C)C)CC2)nnc(C)c1C
InChIInChI=1S/C16H27N5/c1-10-11(2)19-20-15(13(10)14(17)18)21-8-6-12(7-9-21)16(3,4)5/h12H,6-9H2,1-5H3,(H3,17,18)
InChIKeyKZDSAPMKJWAION-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.64
Rot. Bonds2

About 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 62089530) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID62089530
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCC(C(C)(C)C)CC2)nnc(C)c1C
InChIInChI=1S/C16H27N5/c1-10-11(2)19-20-15(13(10)14(17)18)21-8-6-12(7-9-21)16(3,4)5/h12H,6-9H2,1-5H3,(H3,17,18)
InChIKeyKZDSAPMKJWAION-UHFFFAOYSA-N
XLogP2.64
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (CID 62089530) is 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CCC(C(C)(C)C)CC2)nnc(C)c1C.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is KZDSAPMKJWAION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-10-11(2)19-20-15(13(10)14(17)18)21-8-6-12(7-9-21)16(3,4)5/h12H,6-9H2,1-5H3,(H3,17,18).
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 289.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 62089530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).