N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

C16H25N5 — CID 58227086

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCN[C@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1
InChIInChI=1S/C16H25N5/c1-17-13-4-5-21(10-13)14-8-16(20-18-9-14)19-15-7-11-2-3-12(15)6-11/h8-9,11-13,15,17H,2-7,10H2,1H3,(H,19,20)/t11?,12?,13-,15?/m0/s1
InChIKeyACKWPAAIJCHTIB-WRSKWOSUSA-N
MW287.41 g/mol
LogP1.88
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (PubChem CID 58227086) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
PubChem CID58227086
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCN[C@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1
InChIInChI=1S/C16H25N5/c1-17-13-4-5-21(10-13)14-8-16(20-18-9-14)19-15-7-11-2-3-12(15)6-11/h8-9,11-13,15,17H,2-7,10H2,1H3,(H,19,20)/t11?,12?,13-,15?/m0/s1
InChIKeyACKWPAAIJCHTIB-WRSKWOSUSA-N
XLogP1.88
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227259
N-(2-bicyclo[2.2.1]heptanyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227144
5-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
CID 58227207
N-cyclopentyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227216
N-cyclopentyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227337
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
CID 67087450
N-cyclohexyl-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227193
5-[(3R)-3-(Methylamino)pyrrolidin-1-yl]-N-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]pyridazin-3-amine
CID 117724514
5-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclopentylpyridazin-3-amine
CID 58227098
5-[(3R)-3-ethylpyrrolidin-1-yl]-N-(2-methylpropyl)pyridazin-3-amine
CID 58227099
5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine
CID 58227104
N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227109

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (CID 58227086) is N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is CN[C@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The InChIKey is ACKWPAAIJCHTIB-WRSKWOSUSA-N. The full InChI is InChI=1S/C16H25N5/c1-17-13-4-5-21(10-13)14-8-16(20-18-9-14)19-15-7-11-2-3-12(15)6-11/h8-9,11-13,15,17H,2-7,10H2,1H3,(H,19,20)/t11?,12?,13-,15?/m0/s1.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine has a molecular weight of 287.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 58227086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).