N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine

C19H24N4 — CID 95868484

IUPACN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine
SMILESCc1ccc(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)nn1
InChIInChI=1S/C19H24N4/c1-14-8-9-19(22-21-14)20-17-7-4-10-23(13-17)18-11-15-5-2-3-6-16(15)12-18/h2-3,5-6,8-9,17-18H,4,7,10-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyZYVKTHRAPUCSPF-KRWDZBQOSA-N
MW308.43 g/mol
LogP2.83
Rot. Bonds3

About N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine

N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine (PubChem CID 95868484) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine
PubChem CID95868484
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine
SMILESCc1ccc(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)nn1
InChIInChI=1S/C19H24N4/c1-14-8-9-19(22-21-14)20-17-7-4-10-23(13-17)18-11-15-5-2-3-6-16(15)12-18/h2-3,5-6,8-9,17-18H,4,7,10-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyZYVKTHRAPUCSPF-KRWDZBQOSA-N
XLogP2.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine?
The IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine (CID 95868484) is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine.
What is the SMILES notation for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine?
The canonical SMILES for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine is Cc1ccc(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)nn1.
What is the InChIKey of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine?
The InChIKey is ZYVKTHRAPUCSPF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4/c1-14-8-9-19(22-21-14)20-17-7-4-10-23(13-17)18-11-15-5-2-3-6-16(15)12-18/h2-3,5-6,8-9,17-18H,4,7,10-13H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine?
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine has a molecular weight of 308.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-6-methylpyridazin-3-amine is sourced from PubChem (CID 95868484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).