3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane

C18H26N6 — CID 71925586

IUPAC3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1ccn(-c2ccc(N3CCC4CCC(C3)N4C(C)C)nn2)n1
InChIInChI=1S/C18H26N6/c1-13(2)24-15-4-5-16(24)12-22(10-9-15)17-6-7-18(20-19-17)23-11-8-14(3)21-23/h6-8,11,13,15-16H,4-5,9-10,12H2,1-3H3
InChIKeyLWDXBDSFZCNDMB-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.42
Rot. Bonds3

About 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane

3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 71925586) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID71925586
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1ccn(-c2ccc(N3CCC4CCC(C3)N4C(C)C)nn2)n1
InChIInChI=1S/C18H26N6/c1-13(2)24-15-4-5-16(24)12-22(10-9-15)17-6-7-18(20-19-17)23-11-8-14(3)21-23/h6-8,11,13,15-16H,4-5,9-10,12H2,1-3H3
InChIKeyLWDXBDSFZCNDMB-UHFFFAOYSA-N
XLogP2.42
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane (CID 71925586) is 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane is Cc1ccn(-c2ccc(N3CCC4CCC(C3)N4C(C)C)nn2)n1.
What is the InChIKey of 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is LWDXBDSFZCNDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-13(2)24-15-4-5-16(24)12-22(10-9-15)17-6-7-18(20-19-17)23-11-8-14(3)21-23/h6-8,11,13,15-16H,4-5,9-10,12H2,1-3H3.
What are the key properties of 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 326.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 71925586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).