4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide

C18H22FN7O2 — CID 50874129

IUPAC4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide
SMILESO=C(NNc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN7O2/c19-14-5-3-13(4-6-14)15(27)23-24-16-20-17(25-7-1-2-8-25)22-18(21-16)26-9-11-28-12-10-26/h3-6H,1-2,7-12H2,(H,23,27)(H,20,21,22,24)
InChIKeyCEOXTUSHFGDVRV-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.20
Rot. Bonds5

About 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide

4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide (PubChem CID 50874129) has the molecular formula C18H22FN7O2 and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide
PubChem CID50874129
Molecular FormulaC18H22FN7O2
Molecular Weight387.42 g/mol
Exact Mass387.18
IUPAC Name4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide
SMILESO=C(NNc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN7O2/c19-14-5-3-13(4-6-14)15(27)23-24-16-20-17(25-7-1-2-8-25)22-18(21-16)26-9-11-28-12-10-26/h3-6H,1-2,7-12H2,(H,23,27)(H,20,21,22,24)
InChIKeyCEOXTUSHFGDVRV-UHFFFAOYSA-N
XLogP1.20
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorobenzoyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46697479
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255103
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-phenylbenzamide
CID 122254981
N'-(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)pyridine-4-carbohydrazide
CID 46854707
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
1-(4-fluorophenyl)-3-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]urea
CID 66585746
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121016914
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide
CID 20994518
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide (CID 50874129) is 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide is O=C(NNc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide?
The InChIKey is CEOXTUSHFGDVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7O2/c19-14-5-3-13(4-6-14)15(27)23-24-16-20-17(25-7-1-2-8-25)22-18(21-16)26-9-11-28-12-10-26/h3-6H,1-2,7-12H2,(H,23,27)(H,20,21,22,24).
What are the key properties of 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide?
4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide has a molecular weight of 387.42 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)benzohydrazide is sourced from PubChem (CID 50874129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).