6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine

C16H23ClN4 — CID 10236563

IUPAC6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine
SMILESCN(C)CC#CC1CCC(CNc2ccc(Cl)nn2)CC1
InChIInChI=1S/C16H23ClN4/c1-21(2)11-3-4-13-5-7-14(8-6-13)12-18-16-10-9-15(17)19-20-16/h9-10,13-14H,5-8,11-12H2,1-2H3,(H,18,20)
InChIKeySHUGQXYBRMULJX-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.91
Rot. Bonds4

About 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine

6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine (PubChem CID 10236563) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine
PubChem CID10236563
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine
SMILESCN(C)CC#CC1CCC(CNc2ccc(Cl)nn2)CC1
InChIInChI=1S/C16H23ClN4/c1-21(2)11-3-4-13-5-7-14(8-6-13)12-18-16-10-9-15(17)19-20-16/h9-10,13-14H,5-8,11-12H2,1-2H3,(H,18,20)
InChIKeySHUGQXYBRMULJX-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine (CID 10236563) is 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine is CN(C)CC#CC1CCC(CNc2ccc(Cl)nn2)CC1.
What is the InChIKey of 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine?
The InChIKey is SHUGQXYBRMULJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-21(2)11-3-4-13-5-7-14(8-6-13)12-18-16-10-9-15(17)19-20-16/h9-10,13-14H,5-8,11-12H2,1-2H3,(H,18,20).
What are the key properties of 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine?
6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine has a molecular weight of 306.84 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine is sourced from PubChem (CID 10236563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).