2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

C19H22N8O — CID 126937273

IUPAC2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESO=c1ccc(-n2cncn2)nn1C1CCC(Nc2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C19H22N8O/c28-19-9-8-18(26-12-20-11-21-26)25-27(19)15-6-4-14(5-7-15)22-17-10-13-2-1-3-16(13)23-24-17/h8-12,14-15H,1-7H2,(H,22,24)
InChIKeyWMYQOYCVRWRMQW-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.70
Rot. Bonds4

About 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (PubChem CID 126937273) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
PubChem CID126937273
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESO=c1ccc(-n2cncn2)nn1C1CCC(Nc2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C19H22N8O/c28-19-9-8-18(26-12-20-11-21-26)25-27(19)15-6-4-14(5-7-15)22-17-10-13-2-1-3-16(13)23-24-17/h8-12,14-15H,1-7H2,(H,22,24)
InChIKeyWMYQOYCVRWRMQW-UHFFFAOYSA-N
XLogP1.70
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
CID 126934872
2-[4-(cyclopropylmethylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937259
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937277
2-[4-(1,3-benzoxazol-2-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937235
2-[4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937272
2-[4-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937327
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937265
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937398
2-[4-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937252
2-[4-[(2-methylquinolin-4-yl)amino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937330
2-[4-[(1-methyl-6-oxopyridazin-3-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935562
6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935253

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (CID 126937273) is 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is O=c1ccc(-n2cncn2)nn1C1CCC(Nc2cc3c(nn2)CCC3)CC1.
What is the InChIKey of 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The InChIKey is WMYQOYCVRWRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c28-19-9-8-18(26-12-20-11-21-26)25-27(19)15-6-4-14(5-7-15)22-17-10-13-2-1-3-16(13)23-24-17/h8-12,14-15H,1-7H2,(H,22,24).
What are the key properties of 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one has a molecular weight of 378.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 126937273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).