(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine

C20H24N6 — CID 97186357

IUPAC(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](NCc3ccn(-c4ccccc4)n3)C2)nn1
InChIInChI=1S/C20H24N6/c1-16-9-10-20(23-22-16)25-12-5-6-18(15-25)21-14-17-11-13-26(24-17)19-7-3-2-4-8-19/h2-4,7-11,13,18,21H,5-6,12,14-15H2,1H3/t18-/m0/s1
InChIKeyCUZHYPAZKJCTSA-SFHVURJKSA-N
MW348.45 g/mol
LogP2.73
Rot. Bonds5

About (3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine

(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine (PubChem CID 97186357) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
PubChem CID97186357
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](NCc3ccn(-c4ccccc4)n3)C2)nn1
InChIInChI=1S/C20H24N6/c1-16-9-10-20(23-22-16)25-12-5-6-18(15-25)21-14-17-11-13-26(24-17)19-7-3-2-4-8-19/h2-4,7-11,13,18,21H,5-6,12,14-15H2,1H3/t18-/m0/s1
InChIKeyCUZHYPAZKJCTSA-SFHVURJKSA-N
XLogP2.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.73
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-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340
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
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
(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
(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 95347521
4-fluoro-3-[[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]methyl]benzonitrile
CID 97186348
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine (CID 97186357) is (3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine is Cc1ccc(N2CCC[C@H](NCc3ccn(-c4ccccc4)n3)C2)nn1.
What is the InChIKey of (3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is CUZHYPAZKJCTSA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N6/c1-16-9-10-20(23-22-16)25-12-5-6-18(15-25)21-14-17-11-13-26(24-17)19-7-3-2-4-8-19/h2-4,7-11,13,18,21H,5-6,12,14-15H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine?
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 2.73, 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-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 97186357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).