2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C15H19N5O2S — CID 126936143

IUPAC2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3nncs3)CC1)CCOC2
InChIInChI=1S/C15H19N5O2S/c21-14-7-10-8-22-6-5-13(10)19-20(14)12-3-1-11(2-4-12)17-15-18-16-9-23-15/h7,9,11-12H,1-6,8H2,(H,17,18)
InChIKeyBLPOXEHJOSCSTR-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.76
Rot. Bonds3

About 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126936143) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126936143
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3nncs3)CC1)CCOC2
InChIInChI=1S/C15H19N5O2S/c21-14-7-10-8-22-6-5-13(10)19-20(14)12-3-1-11(2-4-12)17-15-18-16-9-23-15/h7,9,11-12H,1-6,8H2,(H,17,18)
InChIKeyBLPOXEHJOSCSTR-UHFFFAOYSA-N
XLogP1.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936025
2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936122
2-[4-[(3-cyclobutyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936118
2-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935813
3-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyridazine-4-carbonitrile
CID 126936147
2-[4-[(3-chloro-4-pyridinyl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936009
2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936054
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936168
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126935996
5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile
CID 126936138
2-[4-(imidazo[1,2-b]pyridazin-6-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936057
2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936115

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126936143) is 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(Nc3nncs3)CC1)CCOC2.
What is the InChIKey of 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is BLPOXEHJOSCSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-14-7-10-8-22-6-5-13(10)19-20(14)12-3-1-11(2-4-12)17-15-18-16-9-23-15/h7,9,11-12H,1-6,8H2,(H,17,18).
What are the key properties of 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 333.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126936143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).