6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine

C17H24N6OS — CID 133291359

IUPAC6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCC3(N4CCOCC4)CCSC3)nn2)n1
InChIInChI=1S/C17H24N6OS/c1-14-4-6-23(21-14)16-3-2-15(19-20-16)18-12-17(5-11-25-13-17)22-7-9-24-10-8-22/h2-4,6H,5,7-13H2,1H3,(H,18,19)
InChIKeyYLECAJIBSGJLFZ-UHFFFAOYSA-N
MW360.49 g/mol
LogP1.59
Rot. Bonds5

About 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine

6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine (PubChem CID 133291359) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine
PubChem CID133291359
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCC3(N4CCOCC4)CCSC3)nn2)n1
InChIInChI=1S/C17H24N6OS/c1-14-4-6-23(21-14)16-3-2-15(19-20-16)18-12-17(5-11-25-13-17)22-7-9-24-10-8-22/h2-4,6H,5,7-13H2,1H3,(H,18,19)
InChIKeyYLECAJIBSGJLFZ-UHFFFAOYSA-N
XLogP1.59
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine with MolForge

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Related Compounds

4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
CID 78871065
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133459940
3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine
CID 71977840
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
CID 39155566
1,3-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-nitropyrazol-5-amine
CID 60502592
N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine
CID 94032387
1-(2,3-dimethylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]methanamine
CID 86843080
2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide
CID 86984290
6-bromo-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]quinazolin-4-amine
CID 87021044
1-(3-fluorophenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrazole-3-carboxamide
CID 47887090
5-fluoro-2-[(3-morpholin-4-ylthiolan-3-yl)methylamino]benzonitrile
CID 56786379
8-bromo-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]quinolin-4-amine
CID 133284015

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine (CID 133291359) is 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine is Cc1ccn(-c2ccc(NCC3(N4CCOCC4)CCSC3)nn2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine?
The InChIKey is YLECAJIBSGJLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-14-4-6-23(21-14)16-3-2-15(19-20-16)18-12-17(5-11-25-13-17)22-7-9-24-10-8-22/h2-4,6H,5,7-13H2,1H3,(H,18,19).
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine?
6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine has a molecular weight of 360.49 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 133291359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).