6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine

C15H23ClN4O — CID 171585999

IUPAC6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine
SMILESCOC1CC(N2CCC[C@@H](Nc3cc(C)c(Cl)nn3)C2)C1
InChIInChI=1S/C15H23ClN4O/c1-10-6-14(18-19-15(10)16)17-11-4-3-5-20(9-11)12-7-13(8-12)21-2/h6,11-13H,3-5,7-9H2,1-2H3,(H,17,18)/t11-,12?,13?/m1/s1
InChIKeyQEULBEIBDKSGPM-PNESKVBLSA-N
MW310.83 g/mol
LogP2.49
Rot. Bonds4

About 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine

6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine (PubChem CID 171585999) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine
PubChem CID171585999
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine
SMILESCOC1CC(N2CCC[C@@H](Nc3cc(C)c(Cl)nn3)C2)C1
InChIInChI=1S/C15H23ClN4O/c1-10-6-14(18-19-15(10)16)17-11-4-3-5-20(9-11)12-7-13(8-12)21-2/h6,11-13H,3-5,7-9H2,1-2H3,(H,17,18)/t11-,12?,13?/m1/s1
InChIKeyQEULBEIBDKSGPM-PNESKVBLSA-N
XLogP2.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine (CID 171585999) is 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine is COC1CC(N2CCC[C@@H](Nc3cc(C)c(Cl)nn3)C2)C1.
What is the InChIKey of 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine?
The InChIKey is QEULBEIBDKSGPM-PNESKVBLSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-10-6-14(18-19-15(10)16)17-11-4-3-5-20(9-11)12-7-13(8-12)21-2/h6,11-13H,3-5,7-9H2,1-2H3,(H,17,18)/t11-,12?,13?/m1/s1.
What are the key properties of 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine?
6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine has a molecular weight of 310.83 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 171585999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).