6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile

C19H21ClN4O — CID 22622508

IUPAC6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile
SMILESCCN(Cc1cc(Cl)ccc1OC1CCCC1)c1ccc(C#N)nn1
InChIInChI=1S/C19H21ClN4O/c1-2-24(19-10-8-16(12-21)22-23-19)13-14-11-15(20)7-9-18(14)25-17-5-3-4-6-17/h7-11,17H,2-6,13H2,1H3
InChIKeyDMJZDNCBLLYASQ-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.35
Rot. Bonds6

About 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile

6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile (PubChem CID 22622508) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile
PubChem CID22622508
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile
SMILESCCN(Cc1cc(Cl)ccc1OC1CCCC1)c1ccc(C#N)nn1
InChIInChI=1S/C19H21ClN4O/c1-2-24(19-10-8-16(12-21)22-23-19)13-14-11-15(20)7-9-18(14)25-17-5-3-4-6-17/h7-11,17H,2-6,13H2,1H3
InChIKeyDMJZDNCBLLYASQ-UHFFFAOYSA-N
XLogP4.35
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile (CID 22622508) is 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile is CCN(Cc1cc(Cl)ccc1OC1CCCC1)c1ccc(C#N)nn1.
What is the InChIKey of 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile?
The InChIKey is DMJZDNCBLLYASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-2-24(19-10-8-16(12-21)22-23-19)13-14-11-15(20)7-9-18(14)25-17-5-3-4-6-17/h7-11,17H,2-6,13H2,1H3.
What are the key properties of 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile?
6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile has a molecular weight of 356.86 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 22622508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).