3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol

C18H24N4O — CID 162198494

IUPAC3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol
SMILESCc1cc(C)c(-c2ccc(NC[C@H]3CCCCN3)nn2)c(O)c1
InChIInChI=1S/C18H24N4O/c1-12-9-13(2)18(16(23)10-12)15-6-7-17(22-21-15)20-11-14-5-3-4-8-19-14/h6-7,9-10,14,19,23H,3-5,8,11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyZRGNYXHVQVAYBF-CQSZACIVSA-N
MW312.42 g/mol
LogP3.02
Rot. Bonds4

About 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol

3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol (PubChem CID 162198494) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol
PubChem CID162198494
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol
SMILESCc1cc(C)c(-c2ccc(NC[C@H]3CCCCN3)nn2)c(O)c1
InChIInChI=1S/C18H24N4O/c1-12-9-13(2)18(16(23)10-12)15-6-7-17(22-21-15)20-11-14-5-3-4-8-19-14/h6-7,9-10,14,19,23H,3-5,8,11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyZRGNYXHVQVAYBF-CQSZACIVSA-N
XLogP3.02
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[6-[[(2S)-piperidin-2-yl]methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284642
3-methyl-2-[6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284840
2-[6-[[(2R)-4,4-difluoropyrrolidin-2-yl]methylamino]pyridazin-3-yl]-3,5-dimethylphenol
CID 159155651
6-(5-methylfuran-2-yl)-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 116971067
6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 83838052
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
4-tert-butyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 126546174
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
CID 71639840
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol?
The IUPAC name of 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol (CID 162198494) is 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol.
What is the SMILES notation for 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol?
The canonical SMILES for 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol is Cc1cc(C)c(-c2ccc(NC[C@H]3CCCCN3)nn2)c(O)c1.
What is the InChIKey of 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol?
The InChIKey is ZRGNYXHVQVAYBF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-9-13(2)18(16(23)10-12)15-6-7-17(22-21-15)20-11-14-5-3-4-8-19-14/h6-7,9-10,14,19,23H,3-5,8,11H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol?
3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol has a molecular weight of 312.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol is sourced from PubChem (CID 162198494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).