(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine

C15H22N6 — CID 95347521

IUPAC(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](NCCn3cccn3)C2)nn1
InChIInChI=1S/C15H22N6/c1-13-5-6-15(19-18-13)20-9-2-4-14(12-20)16-8-11-21-10-3-7-17-21/h3,5-7,10,14,16H,2,4,8-9,11-12H2,1H3/t14-/m0/s1
InChIKeyLAHBVJCEDYXXJW-AWEZNQCLSA-N
MW286.38 g/mol
LogP1.24
Rot. Bonds5

About (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine

(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine (PubChem CID 95347521) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
PubChem CID95347521
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](NCCn3cccn3)C2)nn1
InChIInChI=1S/C15H22N6/c1-13-5-6-15(19-18-13)20-9-2-4-14(12-20)16-8-11-21-10-3-7-17-21/h3,5-7,10,14,16H,2,4,8-9,11-12H2,1H3/t14-/m0/s1
InChIKeyLAHBVJCEDYXXJW-AWEZNQCLSA-N
XLogP1.24
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95340378
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 97186357
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340
1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 121118673
(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95351729
N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine
CID 75499739
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 167779685
(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 95339381
N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 154737129

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine (CID 95347521) is (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine is Cc1ccc(N2CCC[C@H](NCCn3cccn3)C2)nn1.
What is the InChIKey of (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
The InChIKey is LAHBVJCEDYXXJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N6/c1-13-5-6-15(19-18-13)20-9-2-4-14(12-20)16-8-11-21-10-3-7-17-21/h3,5-7,10,14,16H,2,4,8-9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine is sourced from PubChem (CID 95347521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).