2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

C18H24N4O — CID 170381570

IUPAC2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cccc(-c2ccc(N(C)[C@@H]3CCCN(C)C3)nn2)c1O
InChIInChI=1S/C18H24N4O/c1-13-6-4-8-15(18(13)23)16-9-10-17(20-19-16)22(3)14-7-5-11-21(2)12-14/h4,6,8-10,14,23H,5,7,11-12H2,1-3H3/t14-/m1/s1
InChIKeyDQTGHGMVYSPESN-CQSZACIVSA-N
MW312.42 g/mol
LogP2.69
Rot. Bonds3

About 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (PubChem CID 170381570) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
PubChem CID170381570
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cccc(-c2ccc(N(C)[C@@H]3CCCN(C)C3)nn2)c1O
InChIInChI=1S/C18H24N4O/c1-13-6-4-8-15(18(13)23)16-9-10-17(20-19-16)22(3)14-7-5-11-21(2)12-14/h4,6,8-10,14,23H,5,7,11-12H2,1-3H3/t14-/m1/s1
InChIKeyDQTGHGMVYSPESN-CQSZACIVSA-N
XLogP2.69
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The IUPAC name of 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (CID 170381570) is 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The canonical SMILES for 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is Cc1cccc(-c2ccc(N(C)[C@@H]3CCCN(C)C3)nn2)c1O.
What is the InChIKey of 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The InChIKey is DQTGHGMVYSPESN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-6-4-8-15(18(13)23)16-9-10-17(20-19-16)22(3)14-7-5-11-21(2)12-14/h4,6,8-10,14,23H,5,7,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol has a molecular weight of 312.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 170381570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).