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

C17H29N5 — CID 58227109

IUPACN-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCN[C@H]1CCN(c2cnnc(N[C@H](C)C3CCCCC3)c2)C1
InChIInChI=1S/C17H29N5/c1-13(14-6-4-3-5-7-14)20-17-10-16(11-19-21-17)22-9-8-15(12-22)18-2/h10-11,13-15,18H,3-9,12H2,1-2H3,(H,20,21)/t13-,15+/m1/s1
InChIKeyPVPNFFBGQNNATK-HIFRSBDPSA-N
MW303.45 g/mol
LogP2.66
Rot. Bonds5

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

N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (PubChem CID 58227109) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
PubChem CID58227109
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC NameN-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCN[C@H]1CCN(c2cnnc(N[C@H](C)C3CCCCC3)c2)C1
InChIInChI=1S/C17H29N5/c1-13(14-6-4-3-5-7-14)20-17-10-16(11-19-21-17)22-9-8-15(12-22)18-2/h10-11,13-15,18H,3-9,12H2,1-2H3,(H,20,21)/t13-,15+/m1/s1
InChIKeyPVPNFFBGQNNATK-HIFRSBDPSA-N
XLogP2.66
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
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-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (CID 58227109) is N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is CN[C@H]1CCN(c2cnnc(N[C@H](C)C3CCCCC3)c2)C1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The InChIKey is PVPNFFBGQNNATK-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H29N5/c1-13(14-6-4-3-5-7-14)20-17-10-16(11-19-21-17)22-9-8-15(12-22)18-2/h10-11,13-15,18H,3-9,12H2,1-2H3,(H,20,21)/t13-,15+/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine has a molecular weight of 303.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 58227109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).