5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine

C17H25N5 — CID 143912558

IUPAC5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine
SMILESc1nnc(NC2CC3CCC34CC24)cc1N1CCCNCC1
InChIInChI=1S/C17H25N5/c1-4-18-5-7-22(6-1)13-9-16(21-19-11-13)20-15-8-12-2-3-17(12)10-14(15)17/h9,11-12,14-15,18H,1-8,10H2,(H,20,21)
InChIKeyFJYZSSDRTAZPEJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.88
Rot. Bonds3

About 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine

5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine (PubChem CID 143912558) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine
PubChem CID143912558
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine
SMILESc1nnc(NC2CC3CCC34CC24)cc1N1CCCNCC1
InChIInChI=1S/C17H25N5/c1-4-18-5-7-22(6-1)13-9-16(21-19-11-13)20-15-8-12-2-3-17(12)10-14(15)17/h9,11-12,14-15,18H,1-8,10H2,(H,20,21)
InChIKeyFJYZSSDRTAZPEJ-UHFFFAOYSA-N
XLogP1.88
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine with MolForge

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Related Compounds

4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine
CID 76709089
N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227198
5-(1,4-diazepan-1-yl)pyridin-3-ol
CID 10559695
1-(5-methylpyridazin-3-yl)-1,4-diazepane
CID 106549205
5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine
CID 76709020
3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine
CID 116824028
1-[5-(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalen-2-yl)-3-pyridinyl]piperazine
CID 174658500
5-methyl-N-(2-methylcyclopropyl)pyridazin-3-amine
CID 106549711
(E)-but-2-enedioic acid;1-(5-chloro-3-pyridinyl)-1,4-diazepane
CID 131725809
4-piperidin-1-yl-N-piperidin-3-ylpyridin-2-amine
CID 176995897
N-(cyclopentylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227329
5-(1,4-diazepan-1-yl)-2-iodopyridin-3-ol;hydrochloride
CID 11573964

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine?
The IUPAC name of 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine (CID 143912558) is 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine.
What is the SMILES notation for 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine?
The canonical SMILES for 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine is c1nnc(NC2CC3CCC34CC24)cc1N1CCCNCC1.
What is the InChIKey of 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine?
The InChIKey is FJYZSSDRTAZPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-4-18-5-7-22(6-1)13-9-16(21-19-11-13)20-15-8-12-2-3-17(12)10-14(15)17/h9,11-12,14-15,18H,1-8,10H2,(H,20,21).
What are the key properties of 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine?
5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine has a molecular weight of 299.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-yl)-N-(4-tricyclo[4.2.0.01,3]octanyl)pyridazin-3-amine is sourced from PubChem (CID 143912558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).