7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H19FN4O — CID 107113507

IUPAC7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1cccc(CN2CCN3C(=O)NCC3C2)c1F
InChIInChI=1S/C14H19FN4O/c15-13-10(6-16)2-1-3-11(13)8-18-4-5-19-12(9-18)7-17-14(19)20/h1-3,12H,4-9,16H2,(H,17,20)
InChIKeyZVTWAWLCTCHCSR-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.49
Rot. Bonds3

About 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 107113507) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID107113507
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1cccc(CN2CCN3C(=O)NCC3C2)c1F
InChIInChI=1S/C14H19FN4O/c15-13-10(6-16)2-1-3-11(13)8-18-4-5-19-12(9-18)7-17-14(19)20/h1-3,12H,4-9,16H2,(H,17,20)
InChIKeyZVTWAWLCTCHCSR-UHFFFAOYSA-N
XLogP0.49
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]benzoate
CID 82958535
7-[(4-hydroxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82974652
2-[4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]phenyl]acetic acid
CID 105346095
4-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]benzenecarbothioamide
CID 79091401
7-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75515100
7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82983264
4-[[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile
CID 75368544
7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091276
(8aR)-7-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97144731
7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103061081
7-[(6-amino-3-chloro-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094056
(8aS)-7-[(3S)-3-phenylbutyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 100685883

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 107113507) is 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NCc1cccc(CN2CCN3C(=O)NCC3C2)c1F.
What is the InChIKey of 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZVTWAWLCTCHCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c15-13-10(6-16)2-1-3-11(13)8-18-4-5-19-12(9-18)7-17-14(19)20/h1-3,12H,4-9,16H2,(H,17,20).
What are the key properties of 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 278.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 107113507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).