2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

C16H25N7OS — CID 126913712

IUPAC2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3nsc(N(C)C)n3)CC2)n1
InChIInChI=1S/C16H25N7OS/c1-13-4-5-15(24)23(18-13)11-10-21-6-8-22(9-7-21)12-14-17-16(20(2)3)25-19-14/h4-5H,6-12H2,1-3H3
InChIKeyBTOGQWKSRYMZKH-UHFFFAOYSA-N
MW363.49 g/mol
LogP0.29
Rot. Bonds6

About 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126913712) has the molecular formula C16H25N7OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126913712
Molecular FormulaC16H25N7OS
Molecular Weight363.49 g/mol
Exact Mass363.18
IUPAC Name2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3nsc(N(C)C)n3)CC2)n1
InChIInChI=1S/C16H25N7OS/c1-13-4-5-15(24)23(18-13)11-10-21-6-8-22(9-7-21)12-14-17-16(20(2)3)25-19-14/h4-5H,6-12H2,1-3H3
InChIKeyBTOGQWKSRYMZKH-UHFFFAOYSA-N
XLogP0.29
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126913712) is 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(Cc3nsc(N(C)C)n3)CC2)n1.
What is the InChIKey of 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is BTOGQWKSRYMZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7OS/c1-13-4-5-15(24)23(18-13)11-10-21-6-8-22(9-7-21)12-14-17-16(20(2)3)25-19-14/h4-5H,6-12H2,1-3H3.
What are the key properties of 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 363.49 g/mol, XLogP of 0.29, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126913712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).