2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C20H23N9O2 — CID 122280234

IUPAC2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C20H23N9O2/c1-14(29-19(30)9-15-3-2-4-16(15)25-29)20(31)27-7-5-26(6-8-27)17-10-18(23-12-22-17)28-13-21-11-24-28/h9-14H,2-8H2,1H3
InChIKeyAWNPCCVPGVRIGX-UHFFFAOYSA-N
MW421.47 g/mol
LogP0.01
Rot. Bonds4

About 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 122280234) has the molecular formula C20H23N9O2 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID122280234
Molecular FormulaC20H23N9O2
Molecular Weight421.47 g/mol
Exact Mass421.20
IUPAC Name2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C20H23N9O2/c1-14(29-19(30)9-15-3-2-4-16(15)25-29)20(31)27-7-5-26(6-8-27)17-10-18(23-12-22-17)28-13-21-11-24-28/h9-14H,2-8H2,1H3
InChIKeyAWNPCCVPGVRIGX-UHFFFAOYSA-N
XLogP0.01
TPSA114.93 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]pyridazin-3-one
CID 90626682
2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 122280219
2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 122246503
2-cyclohexyl-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90626424
2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 122281443
(6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626687
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626672
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90600379
[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 90626680
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 121168434
(2-fluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626449
N-morpholin-4-yl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280048

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 122280234) is 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CC(C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1)n1nc2c(cc1=O)CCC2.
What is the InChIKey of 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is AWNPCCVPGVRIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O2/c1-14(29-19(30)9-15-3-2-4-16(15)25-29)20(31)27-7-5-26(6-8-27)17-10-18(23-12-22-17)28-13-21-11-24-28/h9-14H,2-8H2,1H3.
What are the key properties of 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 421.47 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 122280234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).