N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

C19H29N5 — CID 58227198

IUPACN-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCN[C@H]1CCN(c2cnnc(NC34CC5CC(CC(C5)C3)C4)c2)C1
InChIInChI=1S/C19H29N5/c1-20-16-2-3-24(12-16)17-7-18(23-21-11-17)22-19-8-13-4-14(9-19)6-15(5-13)10-19/h7,11,13-16,20H,2-6,8-10,12H2,1H3,(H,22,23)/t13?,14?,15?,16-,19?/m0/s1
InChIKeyFUHRFMSATFWSDI-DZPQGLOJSA-N
MW327.48 g/mol
LogP2.66
Rot. Bonds4

About N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (PubChem CID 58227198) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
PubChem CID58227198
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCN[C@H]1CCN(c2cnnc(NC34CC5CC(CC(C5)C3)C4)c2)C1
InChIInChI=1S/C19H29N5/c1-20-16-2-3-24(12-16)17-7-18(23-21-11-17)22-19-8-13-4-14(9-19)6-15(5-13)10-19/h7,11,13-16,20H,2-6,8-10,12H2,1H3,(H,22,23)/t13?,14?,15?,16-,19?/m0/s1
InChIKeyFUHRFMSATFWSDI-DZPQGLOJSA-N
XLogP2.66
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The IUPAC name of N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (CID 58227198) is N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is CN[C@H]1CCN(c2cnnc(NC34CC5CC(CC(C5)C3)C4)c2)C1.
What is the InChIKey of N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The InChIKey is FUHRFMSATFWSDI-DZPQGLOJSA-N. The full InChI is InChI=1S/C19H29N5/c1-20-16-2-3-24(12-16)17-7-18(23-21-11-17)22-19-8-13-4-14(9-19)6-15(5-13)10-19/h7,11,13-16,20H,2-6,8-10,12H2,1H3,(H,22,23)/t13?,14?,15?,16-,19?/m0/s1.
What are the key properties of N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine has a molecular weight of 327.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 58227198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).