2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

C15H19FN6O — CID 126913822

IUPAC2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3ncncc3F)CC2)n1
InChIInChI=1S/C15H19FN6O/c1-12-2-3-14(23)22(19-12)9-6-20-4-7-21(8-5-20)15-13(16)10-17-11-18-15/h2-3,10-11H,4-9H2,1H3
InChIKeyNGHNIQKYBISGKD-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.30
Rot. Bonds4

About 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126913822) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126913822
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(c3ncncc3F)CC2)n1
InChIInChI=1S/C15H19FN6O/c1-12-2-3-14(23)22(19-12)9-6-20-4-7-21(8-5-20)15-13(16)10-17-11-18-15/h2-3,10-11H,4-9H2,1H3
InChIKeyNGHNIQKYBISGKD-UHFFFAOYSA-N
XLogP0.30
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-6-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazine-1-carbonyl)pyridazin-3(2H)-one
CID 91631493
2-{[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126854357
6-Tert-butyl-2-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862316
6-Tert-butyl-2-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862586
2-{[1-(5-Fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126863052
2-{[1-(5-Fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126864188
2-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126865051
6-Cyclopropyl-2-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126865244
6-Cyclopropyl-2-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126865508
2-{2-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913359
2-(2-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}ethyl)-2,3-dihydropyridazin-3-one
CID 126913363
2-{2-[4-(5-Fluoropyrimidin-4-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913501

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126913822) is 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(c3ncncc3F)CC2)n1.
What is the InChIKey of 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is NGHNIQKYBISGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-12-2-3-14(23)22(19-12)9-6-20-4-7-21(8-5-20)15-13(16)10-17-11-18-15/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 318.36 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126913822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).