(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine

C15H22N6 — CID 95336321

IUPAC(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(CCn1cccn1)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C15H22N6/c1-19(11-12-21-10-4-8-17-21)14-5-3-9-20(13-14)15-6-2-7-16-18-15/h2,4,6-8,10,14H,3,5,9,11-13H2,1H3/t14-/m1/s1
InChIKeyRFKMECKYMHKUKA-CQSZACIVSA-N
MW286.38 g/mol
LogP1.27
Rot. Bonds5

About (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95336321) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95336321
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(CCn1cccn1)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C15H22N6/c1-19(11-12-21-10-4-8-17-21)14-5-3-9-20(13-14)15-6-2-7-16-18-15/h2,4,6-8,10,14H,3,5,9,11-13H2,1H3/t14-/m1/s1
InChIKeyRFKMECKYMHKUKA-CQSZACIVSA-N
XLogP1.27
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124625483
(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95600027
(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95342541
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 56778134
(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95334844
(3R)-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95600043
3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778147
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95334841
(3R)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95334723
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 126780099

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine (CID 95336321) is (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine is CN(CCn1cccn1)[C@@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is RFKMECKYMHKUKA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N6/c1-19(11-12-21-10-4-8-17-21)14-5-3-9-20(13-14)15-6-2-7-16-18-15/h2,4,6-8,10,14H,3,5,9,11-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95336321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).