5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one

C14H18N6OS — CID 171993019

IUPAC5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(c3nc(C4CC4)ns3)CC2)cc1=O
InChIInChI=1S/C14H18N6OS/c1-18-12(21)8-11(9-15-18)19-4-6-20(7-5-19)14-16-13(17-22-14)10-2-3-10/h8-10H,2-7H2,1H3
InChIKeyAUKYLQJZGZFZQU-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.84
Rot. Bonds3

About 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 171993019) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID171993019
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(c3nc(C4CC4)ns3)CC2)cc1=O
InChIInChI=1S/C14H18N6OS/c1-18-12(21)8-11(9-15-18)19-4-6-20(7-5-19)14-16-13(17-22-14)10-2-3-10/h8-10H,2-7H2,1H3
InChIKeyAUKYLQJZGZFZQU-UHFFFAOYSA-N
XLogP0.84
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 171993019) is 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(c3nc(C4CC4)ns3)CC2)cc1=O.
What is the InChIKey of 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is AUKYLQJZGZFZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-18-12(21)8-11(9-15-18)19-4-6-20(7-5-19)14-16-13(17-22-14)10-2-3-10/h8-10H,2-7H2,1H3.
What are the key properties of 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 318.41 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 171993019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).